 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer07_STD_wB97XD_def2SVPD.in
 Output=31_naproxen_conformer07_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-3718.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3729.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=31_naproxen_conformer07_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:11:40 2021, MaxMem=  6442450944 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer07_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.647466000000     -0.507821000000     -0.190768000000
  C                                                -1.077854000000      0.848890000000     -0.283737000000
  C                                                 0.729812000000     -0.810631000000     -0.325382000000
  C                                                 1.666014000000      0.171296000000     -0.544574000000
  C                                                 1.224426000000      1.518888000000     -0.634141000000
  C                                                -0.095519000000      1.847305000000     -0.510964000000
  C                                                -1.620346000000     -1.504235000000      0.030174000000
  H                                                 1.028417000000     -1.849396000000     -0.262480000000
  H                                                 1.958991000000      2.296811000000     -0.804780000000
  H                                                -0.409397000000      2.880973000000     -0.586908000000
  C                                                 3.149491000000     -0.109147000000     -0.638141000000
  C                                                 3.513374000000     -1.523377000000     -1.111890000000
  C                                                 3.892002000000      0.146002000000      0.683653000000
  H                                                 3.589494000000      0.601618000000     -1.339688000000
  H                                                 3.036271000000     -1.735553000000     -2.068831000000
  H                                                 3.199758000000     -2.284180000000     -0.395852000000
  H                                                 4.592748000000     -1.602696000000     -1.229908000000
  O                                                 5.062060000000      0.400852000000      0.731679000000
  O                                                 3.167488000000      0.013457000000      1.815440000000
  H                                                 2.235282000000     -0.131723000000      1.586956000000
  C                                                -2.950314000000     -1.190901000000      0.157052000000
  C                                                -3.370558000000      0.155926000000      0.065064000000
  C                                                -2.444381000000      1.152719000000     -0.152345000000
  O                                                -4.667931000000      0.545168000000      0.179928000000
  C                                                -5.662349000000     -0.440795000000      0.404455000000
  H                                                -1.305354000000     -2.538205000000      0.101013000000
  H                                                -3.668320000000     -1.978990000000      0.326462000000
  H                                                -2.783917000000      2.177944000000     -0.220901000000
  H                                                -5.493272000000     -0.973311000000      1.344574000000
  H                                                -5.705913000000     -1.160181000000     -0.418101000000
  H                                                -6.605720000000      0.096347000000      0.461347000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 11:11:41 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426374   0.000000
     3  C    1.416584   2.454262   0.000000
     4  C    2.436918   2.838306   1.374300   0.000000
     5  C    2.794299   2.423257   2.401382   1.420924   0.000000
     6  C    2.440039   1.418960   2.789307   2.431694   1.365754
     7  C    1.410018   2.435166   2.476035   3.733350   4.203964
     8  H    2.147918   3.423095   1.082661   2.137593   3.394391
     9  H    3.877704   3.404466   3.375929   2.161332   1.083452
    10  H    3.420165   2.160581   3.872226   3.413425   2.127648
    11  C    3.843952   4.349009   2.538650   1.512649   2.521188
    12  C    4.380914   5.233819   2.979063   2.570312   3.837044
    13  C    4.668926   5.111689   3.454380   2.542480   3.276791
    14  H    4.527991   4.791692   3.346796   2.125361   2.633007
    15  H    4.313278   5.176092   3.035597   2.799471   3.991554
    16  H    4.242481   5.303458   2.876968   2.898940   4.292091
    17  H    5.453293   6.249899   4.045715   3.490344   4.630855
    18  O    5.854510   6.239419   4.620978   3.635195   4.224086
    19  O    4.341713   4.809098   3.347313   2.801607   3.470196
    20  H    3.407637   3.929117   2.526736   2.226950   2.946119
    21  C    2.427074   2.803774   3.731042   4.863984   5.039583
    22  C    2.814470   2.420403   4.230805   5.073357   4.843597
    23  C    2.446993   1.406048   3.736333   4.244100   3.718380
    24  O    4.172570   3.632614   5.588306   6.386199   6.027496
    25  C    5.050528   4.811911   6.444312   7.414865   7.235103
    26  H    2.154162   3.416460   2.703373   4.072739   4.837380
    27  H    3.399621   3.883267   4.597122   5.817005   6.090720
    28  H    3.432006   2.163558   4.613977   4.892166   4.083128
    29  H    5.104487   5.046556   6.445308   7.492288   7.433292
    30  H    5.105403   5.047113   6.445878   7.492272   7.433282
    31  H    6.024206   5.628390   7.433141   8.333011   8.033362
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721659   0.000000
     8  H    3.871766   2.687141   0.000000
     9  H    2.123534   5.287415   4.283817   0.000000
    10  H    1.082939   4.590995   4.954690   2.449076   0.000000
    11  C    3.791302   5.014405   2.769213   2.689553   4.648562
    12  C    4.974607   5.259254   2.646280   4.135730   5.921321
    13  C    4.496873   5.791053   3.616200   3.252375   5.253230
    14  H    3.977165   5.783906   3.704992   2.412125   4.664040
    15  H    5.007188   5.113063   2.703210   4.360999   5.948196
    16  H    5.285950   4.901348   2.218456   4.763633   6.304071
    17  H    5.865086   6.340350   3.701518   4.724782   6.748199
    18  O    5.498819   6.983983   4.724642   3.947709   6.150326
    19  O    4.407082   5.330471   3.516191   3.679636   5.175715
    20  H    3.708160   4.378724   2.797738   3.419724   4.560301
    21  C    4.222179   1.372258   4.054618   6.098404   4.856943
    22  C    3.730744   2.412591   4.845573   5.808968   4.076693
    23  C    2.475522   2.787786   4.591857   4.596118   2.704971
    24  O    4.804149   3.675630   6.195001   6.924883   4.917228
    25  C    6.087938   4.196282   6.869884   8.187891   6.293683
    26  H    4.590307   1.083205   2.460299   5.903710   5.535654
    27  H    5.301577   2.123058   4.735292   7.157431   5.922336
    28  H    2.724141   3.869803   5.545727   4.780190   2.503309
    29  H    6.366682   4.124207   6.773668   8.417223   6.665727
    30  H    6.366327   4.124461   6.771295   8.417308   6.664271
    31  H    6.811311   5.253735   7.911377   8.933051   6.873674
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535218   0.000000
    13  C    1.537388   2.480758   0.000000
    14  H    1.091310   2.138525   2.095950   0.000000
    15  H    2.169076   1.090129   3.442193   2.509995   0.000000
    16  H    2.189064   1.090819   2.747784   3.061136   1.768213
    17  H    2.159599   1.088700   2.685276   2.424370   1.773151
    18  O    2.407161   3.082180   1.198453   2.549376   4.063361
    19  O    2.456708   3.324268   1.350345   3.237106   4.261903
    20  H    2.405690   3.294539   1.907304   3.307102   4.071687
    21  C    6.245810   6.595454   6.991560   6.944238   6.410179
    22  C    6.563216   7.182882   7.288863   7.114372   7.012750
    23  C    5.754972   6.601292   6.470094   6.174232   6.484796
    24  O    7.887297   8.537062   8.584027   8.396278   8.343461
    25  C    8.879500   9.362968   9.576424   9.472342   9.135619
    26  H    5.127603   5.071602   5.878516   5.991131   4.919571
    27  H    7.135077   7.338472   7.861402   7.881082   7.123779
    28  H    6.372614   7.358635   7.036683   6.660094   7.252923
    29  H    8.909281   9.351816   9.474864   9.601161   9.218755
    30  H    8.920273   9.252487   9.748843   9.505675   8.915253
    31  H    9.819126  10.367962  10.500193  10.365395  10.135366
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760821   0.000000
    18  O    3.456717   2.842935   0.000000
    19  O    3.189042   3.730611   2.216758   0.000000
    20  H    3.081365   3.956783   3.000968   0.970716   0.000000
    21  C    6.270913   7.680561   8.189140   6.451994   5.482416
    22  C    7.023931   8.257357   8.462471   6.769798   5.815870
    23  C    6.612706   7.633783   7.595621   6.055012   5.155017
    24  O    8.380767   9.610470   9.746691   8.021933   7.077588
    25  C    9.087106  10.449314  10.762360   8.953393   7.991646
    26  H    4.539542   6.118344   7.041289   5.427389   4.531588
    27  H    6.912697   8.414816   9.058001   7.274282   6.312983
    28  H    7.466293   8.350241   8.100915   6.652136   5.813370
    29  H    8.961932  10.428417  10.662035   8.729501   7.778018
    30  H    8.976349  10.340081  10.941118   9.225149   8.254729
    31  H   10.126653  11.452195  11.674883   9.866916   8.915286
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413863   0.000000
    23  C    2.417488   1.377921   0.000000
    24  O    2.442267   1.359367   2.328883   0.000000
    25  C    2.824713   2.392398   3.633818   1.418239   0.000000
    26  H    2.127031   3.394805   3.870981   4.562931   4.845060
    27  H    1.079498   2.171372   3.396304   2.718836   2.519579
    28  H    3.394061   2.124731   1.082160   2.525100   3.941349
    29  H    2.814994   2.723644   4.007057   2.084075   1.093611
    30  H    2.815150   2.723870   4.007209   2.084049   1.093624
    31  H    3.887364   3.259887   4.336967   2.008896   1.087064
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438679   0.000000
    28  H    4.952963   4.285076   0.000000
    29  H    4.640474   2.319136   4.440915   0.000000
    30  H    4.640404   2.318751   4.440724   1.785262   0.000000
    31  H    5.929973   3.599102   4.405075   1.778145   1.778186
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.58D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.647466   -0.507821   -0.190768
      2          6           0       -1.077854    0.848890   -0.283737
      3          6           0        0.729812   -0.810631   -0.325382
      4          6           0        1.666014    0.171296   -0.544574
      5          6           0        1.224426    1.518888   -0.634141
      6          6           0       -0.095519    1.847305   -0.510964
      7          6           0       -1.620346   -1.504235    0.030174
      8          1           0        1.028417   -1.849396   -0.262480
      9          1           0        1.958991    2.296811   -0.804780
     10          1           0       -0.409397    2.880973   -0.586908
     11          6           0        3.149491   -0.109147   -0.638141
     12          6           0        3.513374   -1.523377   -1.111890
     13          6           0        3.892002    0.146002    0.683653
     14          1           0        3.589494    0.601618   -1.339688
     15          1           0        3.036271   -1.735553   -2.068831
     16          1           0        3.199758   -2.284180   -0.395852
     17          1           0        4.592748   -1.602696   -1.229908
     18          8           0        5.062060    0.400852    0.731679
     19          8           0        3.167488    0.013457    1.815440
     20          1           0        2.235282   -0.131723    1.586956
     21          6           0       -2.950314   -1.190901    0.157052
     22          6           0       -3.370558    0.155926    0.065064
     23          6           0       -2.444381    1.152719   -0.152345
     24          8           0       -4.667931    0.545168    0.179928
     25          6           0       -5.662349   -0.440795    0.404455
     26          1           0       -1.305354   -2.538205    0.101013
     27          1           0       -3.668320   -1.978990    0.326462
     28          1           0       -2.783917    2.177944   -0.220901
     29          1           0       -5.493272   -0.973311    1.344574
     30          1           0       -5.705913   -1.160181   -0.418101
     31          1           0       -6.605720    0.096347    0.461347
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4435720           0.2033668           0.1943488
 Leave Link  202 at Fri Aug 13 11:11:41 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2048311163 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0211713943 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.1836597219 Hartrees.
 Leave Link  301 at Fri Aug 13 11:11:42 2021, MaxMem=  6442450944 cpu:               7.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.08D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Fri Aug 13 11:11:44 2021, MaxMem=  6442450944 cpu:               7.3 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:11:44 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer07_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:11:46 2021, MaxMem=  6442450944 cpu:               9.4 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441952175 LenY=  6441706655
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.834317290696    
 DIIS: error= 3.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.834317290696     IErMin= 1 ErrMin= 3.97D-03
 ErrMax= 3.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-02 BMatP= 1.97D-02
 IDIUse=3 WtCom= 9.60D-01 WtEn= 3.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.293 Goal=   None    Shift=    0.000
 GapD=    0.293 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.83D-03 MaxDP=4.62D-01              OVMax= 1.72D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.82D-03    CP:  9.89D-01
 E= -766.850188125150     Delta-E=       -0.015870834455 Rises=F Damp=F
 DIIS: error= 6.31D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.850188125150     IErMin= 2 ErrMin= 6.31D-04
 ErrMax= 6.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.72D-04 BMatP= 1.97D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.31D-03
 Coeff-Com: -0.901D-04 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.895D-04 0.100D+01
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.28D-03 MaxDP=9.14D-02 DE=-1.59D-02 OVMax= 8.21D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.02D-04    CP:  1.01D+00  1.08D+00
 E= -766.850722963647     Delta-E=       -0.000534838497 Rises=F Damp=F
 DIIS: error= 6.51D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.850722963647     IErMin= 2 ErrMin= 6.31D-04
 ErrMax= 6.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.70D-04 BMatP= 6.72D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.51D-03
 Coeff-Com: -0.453D-01 0.488D+00 0.558D+00
 Coeff-En:   0.000D+00 0.911D-01 0.909D+00
 Coeff:     -0.450D-01 0.485D+00 0.560D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.43D-04 MaxDP=5.37D-03 DE=-5.35D-04 OVMax= 2.83D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.26D-04    CP:  1.01D+00  1.09D+00  1.05D+00
 E= -766.851113520144     Delta-E=       -0.000390556497 Rises=F Damp=F
 DIIS: error= 1.07D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.851113520144     IErMin= 4 ErrMin= 1.07D-04
 ErrMax= 1.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-05 BMatP= 5.70D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.07D-03
 Coeff-Com: -0.154D-01 0.896D-01 0.179D+00 0.747D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.154D-01 0.895D-01 0.179D+00 0.747D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=7.32D-05 MaxDP=2.79D-03 DE=-3.91D-04 OVMax= 9.90D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.66D-05    CP:  1.01D+00  1.09D+00  1.09D+00  1.18D+00
 E= -766.851132434644     Delta-E=       -0.000018914500 Rises=F Damp=F
 DIIS: error= 3.32D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.851132434644     IErMin= 5 ErrMin= 3.32D-05
 ErrMax= 3.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-06 BMatP= 1.91D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-02-0.347D-01-0.287D-01 0.233D+00 0.829D+00
 Coeff:      0.113D-02-0.347D-01-0.287D-01 0.233D+00 0.829D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=2.51D-05 MaxDP=1.07D-03 DE=-1.89D-05 OVMax= 5.70D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.86D-05    CP:  1.01D+00  1.09D+00  1.11D+00  1.22D+00  9.61D-01
 E= -766.851135588639     Delta-E=       -0.000003153995 Rises=F Damp=F
 DIIS: error= 1.17D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.851135588639     IErMin= 6 ErrMin= 1.17D-05
 ErrMax= 1.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-07 BMatP= 2.39D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.125D-02-0.185D-01-0.208D-01 0.560D-01 0.327D+00 0.655D+00
 Coeff:      0.125D-02-0.185D-01-0.208D-01 0.560D-01 0.327D+00 0.655D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=6.64D-06 MaxDP=4.18D-04 DE=-3.15D-06 OVMax= 1.63D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.31D-06    CP:  1.01D+00  1.09D+00  1.11D+00  1.23D+00  9.98D-01
                    CP:  9.66D-01
 E= -766.851135880098     Delta-E=       -0.000000291459 Rises=F Damp=F
 DIIS: error= 6.51D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.851135880098     IErMin= 7 ErrMin= 6.51D-06
 ErrMax= 6.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-08 BMatP= 2.57D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.387D-03-0.239D-02-0.450D-02-0.171D-01-0.309D-02 0.303D+00
 Coeff-Com:  0.724D+00
 Coeff:      0.387D-03-0.239D-02-0.450D-02-0.171D-01-0.309D-02 0.303D+00
 Coeff:      0.724D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=3.28D-06 MaxDP=1.58D-04 DE=-2.91D-07 OVMax= 1.15D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.04D-06    CP:  1.01D+00  1.09D+00  1.11D+00  1.24D+00  1.01D+00
                    CP:  9.91D-01  1.28D+00
 E= -766.851135967857     Delta-E=       -0.000000087759 Rises=F Damp=F
 DIIS: error= 2.91D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.851135967857     IErMin= 8 ErrMin= 2.91D-06
 ErrMax= 2.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.98D-09 BMatP= 5.63D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.914D-04 0.252D-02 0.252D-02-0.149D-01-0.599D-01-0.386D-01
 Coeff-Com:  0.226D+00 0.882D+00
 Coeff:     -0.914D-04 0.252D-02 0.252D-02-0.149D-01-0.599D-01-0.386D-01
 Coeff:      0.226D+00 0.882D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.32D-06 MaxDP=5.13D-05 DE=-8.78D-08 OVMax= 7.48D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.65D-07    CP:  1.01D+00  1.09D+00  1.11D+00  1.24D+00  1.01D+00
                    CP:  1.02D+00  1.36D+00  1.24D+00
 E= -766.851135983869     Delta-E=       -0.000000016013 Rises=F Damp=F
 DIIS: error= 1.08D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.851135983869     IErMin= 9 ErrMin= 1.08D-06
 ErrMax= 1.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-09 BMatP= 6.98D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.877D-04 0.137D-02 0.169D-02-0.402D-02-0.249D-01-0.610D-01
 Coeff-Com:  0.593D-03 0.405D+00 0.682D+00
 Coeff:     -0.877D-04 0.137D-02 0.169D-02-0.402D-02-0.249D-01-0.610D-01
 Coeff:      0.593D-03 0.405D+00 0.682D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=4.30D-07 MaxDP=1.54D-05 DE=-1.60D-08 OVMax= 2.30D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.11D-07    CP:  1.01D+00  1.09D+00  1.11D+00  1.24D+00  1.01D+00
                    CP:  1.02D+00  1.40D+00  1.26D+00  1.10D+00
 E= -766.851135986222     Delta-E=       -0.000000002352 Rises=F Damp=F
 DIIS: error= 3.38D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.851135986222     IErMin=10 ErrMin= 3.38D-07
 ErrMax= 3.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.62D-11 BMatP= 1.45D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.147D-04 0.663D-04 0.143D-03 0.826D-03 0.788D-03-0.115D-01
 Coeff-Com: -0.306D-01-0.907D-02 0.160D+00 0.890D+00
 Coeff:     -0.147D-04 0.663D-04 0.143D-03 0.826D-03 0.788D-03-0.115D-01
 Coeff:     -0.306D-01-0.907D-02 0.160D+00 0.890D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=2.03D-07 MaxDP=6.27D-06 DE=-2.35D-09 OVMax= 9.72D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.31D-07    CP:  1.01D+00  1.09D+00  1.11D+00  1.24D+00  1.01D+00
                    CP:  1.01D+00  1.41D+00  1.31D+00  1.19D+00  1.12D+00
 E= -766.851135986447     Delta-E=       -0.000000000226 Rises=F Damp=F
 DIIS: error= 9.21D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.851135986447     IErMin=11 ErrMin= 9.21D-08
 ErrMax= 9.21D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-11 BMatP= 9.62D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.887D-05-0.204D-03-0.229D-03 0.104D-02 0.445D-02 0.495D-02
 Coeff-Com: -0.135D-01-0.656D-01-0.421D-01 0.377D+00 0.734D+00
 Coeff:      0.887D-05-0.204D-03-0.229D-03 0.104D-02 0.445D-02 0.495D-02
 Coeff:     -0.135D-01-0.656D-01-0.421D-01 0.377D+00 0.734D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=6.93D-08 MaxDP=3.41D-06 DE=-2.26D-10 OVMax= 2.84D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.76D-08    CP:  1.01D+00  1.09D+00  1.11D+00  1.24D+00  1.01D+00
                    CP:  1.01D+00  1.40D+00  1.31D+00  1.21D+00  1.20D+00
                    CP:  1.08D+00
 E= -766.851135986483     Delta-E=       -0.000000000035 Rises=F Damp=F
 DIIS: error= 2.86D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.851135986483     IErMin=12 ErrMin= 2.86D-08
 ErrMax= 2.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-12 BMatP= 2.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.379D-05-0.610D-04-0.753D-04 0.198D-03 0.107D-02 0.269D-02
 Coeff-Com: -0.170D-03-0.153D-01-0.305D-01-0.178D-03 0.197D+00 0.846D+00
 Coeff:      0.379D-05-0.610D-04-0.753D-04 0.198D-03 0.107D-02 0.269D-02
 Coeff:     -0.170D-03-0.153D-01-0.305D-01-0.178D-03 0.197D+00 0.846D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=2.25D-08 MaxDP=9.27D-07 DE=-3.55D-11 OVMax= 8.66D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.74D-08    CP:  1.01D+00  1.09D+00  1.11D+00  1.24D+00  1.01D+00
                    CP:  1.01D+00  1.40D+00  1.31D+00  1.21D+00  1.21D+00
                    CP:  1.15D+00  1.06D+00
 E= -766.851135986547     Delta-E=       -0.000000000064 Rises=F Damp=F
 DIIS: error= 1.50D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.851135986547     IErMin=13 ErrMin= 1.50D-08
 ErrMax= 1.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-13 BMatP= 1.64D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.455D-06-0.606D-06-0.249D-05-0.357D-04-0.832D-04 0.447D-03
 Coeff-Com:  0.125D-02 0.161D-02-0.650D-02-0.398D-01-0.163D-01 0.301D+00
 Coeff-Com:  0.759D+00
 Coeff:      0.455D-06-0.606D-06-0.249D-05-0.357D-04-0.832D-04 0.447D-03
 Coeff:      0.125D-02 0.161D-02-0.650D-02-0.398D-01-0.163D-01 0.301D+00
 Coeff:      0.759D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=9.95D-09 MaxDP=6.40D-07 DE=-6.39D-11 OVMax= 3.33D-07

 SCF Done:  E(RwB97XD) =  -766.851135987     A.U. after   13 cycles
            NFock= 13  Conv=0.99D-08     -V/T= 2.0108
 KE= 7.586658410139D+02 PE=-4.050481359634D+03 EE= 1.390780722912D+03
 Leave Link  502 at Fri Aug 13 11:20:28 2021, MaxMem=  6442450944 cpu:            4161.9 elap:             521.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.57515826D+02

 Leave Link  801 at Fri Aug 13 11:20:29 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9491 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 5.15D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 2.15D-01 9.75D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 6.01D-02 1.27D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 7.09D-03 3.69D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.63D-03 1.07D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 2.02D-04 2.40D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 9.45D-06 5.61D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 4.54D-07 1.11D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 2.25D-08 2.15D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 6.84D-10 2.92D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 2.06D-11 5.90D-07.
      8 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 7.65D-13 1.11D-07.
      7 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.76D-13 2.49D-08.
      2 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 1.08D-13 1.71D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.82D-14
 Solved reduced A of dimension   138 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.302358D+03
      2  0.134869D+02  0.171208D+03
      3 -0.155743D+02 -0.536300D+01  0.116972D+03
 Isotropic polarizability for W=    0.088559      196.85 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.323074D+03 -0.398758D+02  0.863563D+02
      2   0.152199D+03  0.205795D+02 -0.435571D+02
      3   0.170875D+03  0.192963D+02 -0.427992D+02
      4  -0.504208D+02 -0.113074D+03  0.383396D+02
      5   0.200488D+02  0.423738D+02  0.368284D+02
      6   0.112855D+02 -0.682394D+02 -0.332369D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.956553D+01 -0.284682D+02  0.121656D+02
      2   0.766998D+02  0.160865D+02  0.140470D+02
      3   0.412689D+02  0.527201D+02 -0.200499D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.403418D+01 -0.246823D+02  0.525332D+02
      2   0.663075D+02  0.270540D+02 -0.134046D+03
      3  -0.105450D+02  0.265273D+03 -0.310882D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.973184D+00 -0.685474D+01 -0.811010D+01
      2  -0.685474D+01  0.152131D+01 -0.288474D+00
      3  -0.811010D+01 -0.288474D+00  0.505395D+01
 OR G Eigenvalues:    -9.7686     3.1610    12.2097  Iso=    -1.8674
 Eigenvectors:
   (1)   0.767202   0.476776   0.429052
   (2)  -0.165048   0.793146  -0.586241
   (3)  -0.619806   0.378951   0.687194
 w=    0.088559 a.u., Optical Rotation Beta=     -1.8674 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -411.23 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 5.48D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.29D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 4.48D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 5.78D-02 5.78D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 6.01D-03 2.18D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.17D-04 2.10D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 5.87D-06 3.08D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.14D-07 4.30D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 1.82D-09 4.81D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 3.00D-11 6.09D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 3.70D-13 5.80D-08.
     11 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 2.62D-14 9.20D-09.
      5 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 2.00D-14 8.52D-09.
      5 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 3.53D-14 1.38D-08.
      5 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 1.86D-14 1.23D-08.
      1 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 5.91D-15 4.85D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   297 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.92D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.92D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.82D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.302358D+03  0.134869D+02 -0.155743D+02
      2   0.134869D+02  0.171208D+03 -0.536300D+01
      3  -0.155743D+02 -0.536300D+01  0.116972D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.956553D+01 -0.284682D+02  0.121656D+02
      2   0.766998D+02  0.160865D+02  0.140470D+02
      3   0.412689D+02  0.527201D+02 -0.200499D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.323074D+03 -0.398758D+02  0.863563D+02
      2   0.152199D+03  0.205795D+02 -0.435571D+02
      3   0.170875D+03  0.192963D+02 -0.427992D+02
      4  -0.504208D+02 -0.113074D+03  0.383396D+02
      5   0.200488D+02  0.423738D+02  0.368284D+02
      6   0.112855D+02 -0.682394D+02 -0.332369D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.400635D+02  0.896474D+01 -0.375928D+01 -0.448530D+02 -0.585631D+01
      2   0.896474D+01  0.503933D+01 -0.174566D+01 -0.585631D+01 -0.540971D+01
      3  -0.375928D+01 -0.174566D+01 -0.835025D-02  0.495738D+01  0.100664D+01
                 6             7             8             9            10 
      1   0.495738D+01  0.853392D+00 -0.379770D+00  0.124653D+01 -0.322777D+02
      2   0.100664D+01 -0.379770D+00 -0.190308D+00 -0.790156D+00 -0.738905D+01
      3  -0.584081D+00  0.124653D+01 -0.790156D+00  0.139270D+00  0.286369D+01
                11            12            13            14            15 
      1  -0.738905D+01  0.286369D+01  0.492237D+02  0.710240D+01 -0.561322D+01
      2  -0.104240D+01  0.497939D+00  0.710240D+01  0.715242D+01 -0.165434D+01
      3   0.497939D+00 -0.435654D+00 -0.561322D+01 -0.165434D+01  0.588877D+00
                16            17            18            19            20 
      1  -0.115356D+01  0.206907D+00 -0.541105D+00 -0.467339D+02 -0.101219D+02
      2   0.206907D+00 -0.378025D+00  0.992647D+00 -0.101219D+02 -0.987026D+01
      3  -0.541105D+00  0.992647D+00 -0.275704D+00  0.363102D+01  0.171353D+01
                21            22            23            24            25 
      1   0.363102D+01 -0.179041D+02 -0.187692D+01  0.128411D+00  0.754383D+01
      2   0.171353D+01 -0.187692D+01 -0.615100D+01  0.512148D+00  0.145761D+00
      3  -0.628993D+00  0.128411D+00  0.512148D+00 -0.205900D+01  0.229305D+00
                26            27            28            29            30 
      1   0.145761D+00  0.229305D+00  0.498323D+02  0.512658D+01 -0.720654D+00
      2   0.112258D+01 -0.409715D+01  0.512658D+01  0.452904D+01 -0.645303D+00
      3  -0.409715D+01  0.639704D+00 -0.720654D+00 -0.645303D+00  0.209998D+01
                31            32            33            34            35 
      1   0.709106D+01  0.199542D+01 -0.358643D-03 -0.386880D+01 -0.395636D-01
      2   0.199542D+01  0.163813D+02 -0.277584D+01 -0.395636D-01 -0.290075D+01
      3  -0.358643D-03 -0.277584D+01  0.427324D+00  0.652299D+01  0.134520D+01
                36            37            38            39            40 
      1   0.652299D+01  0.823396D+01 -0.201927D+01 -0.232088D+00  0.787055D+01
      2   0.134520D+01 -0.201927D+01  0.132050D+02 -0.133481D+01  0.182478D+01
      3  -0.145799D+01 -0.232088D+00 -0.133481D+01  0.178857D+01  0.472579D+00
                41            42            43            44            45 
      1   0.182478D+01  0.472579D+00 -0.870088D+00  0.104155D+01  0.478832D+01
      2  -0.910797D+01  0.155711D+01  0.104155D+01 -0.439645D+00  0.208678D+01
      3   0.155711D+01  0.662204D+00  0.478832D+01  0.208678D+01 -0.239645D+01
                46            47            48            49            50 
      1  -0.136589D+02  0.223179D+01  0.160944D+01  0.237723D+00  0.245599D+01
      2   0.223179D+01 -0.940092D+01  0.194747D+01  0.245599D+01  0.557580D+00
      3   0.160944D+01  0.194747D+01 -0.167036D+01 -0.194212D+00  0.385748D+00
                51            52            53            54            55 
      1  -0.194212D+00  0.144737D+01 -0.912831D-02 -0.156842D+01  0.433658D+01
      2   0.385748D+00 -0.912831D-02  0.214503D+01  0.423543D+01 -0.335251D+01
      3   0.139000D+01 -0.156842D+01  0.423543D+01 -0.816602D+00 -0.241767D+00
                56            57            58            59            60 
      1  -0.335251D+01 -0.241767D+00 -0.203335D+01 -0.376664D+01  0.281856D+00
      2   0.543224D+01 -0.286056D+00 -0.376664D+01 -0.252920D+01  0.905419D-01
      3  -0.286056D+00  0.163656D+01  0.281856D+00  0.905419D-01 -0.136108D+01
                61            62            63            64            65 
      1  -0.278832D+00  0.320290D+00  0.458974D+00  0.576489D+00 -0.186446D+01
      2   0.320290D+00 -0.138024D+01 -0.418009D+01 -0.186446D+01  0.824380D+00
      3   0.458974D+00 -0.418009D+01  0.542643D+00  0.458523D-02  0.189927D+00
                66            67            68            69            70 
      1   0.458523D-02 -0.274105D+01  0.277665D+01  0.914232D-01 -0.185314D+00
      2   0.189927D+00  0.277665D+01 -0.640802D+01 -0.220910D-01  0.110871D+00
      3   0.420720D-01  0.914232D-01 -0.220910D-01 -0.699875D+00 -0.953369D-01
                71            72            73            74            75 
      1   0.110871D+00 -0.953369D-01  0.607292D+01  0.331117D+01 -0.108309D+01
      2   0.478739D+00  0.221341D-01  0.331117D+01  0.329193D+01 -0.762481D+00
      3   0.221341D-01 -0.148557D-01 -0.108309D+01 -0.762481D+00  0.724583D+00
                76            77            78            79            80 
      1   0.392411D+01  0.432583D+01 -0.976802D+00 -0.136406D+01 -0.885744D+00
      2   0.432583D+01  0.523350D+01 -0.108141D+01 -0.885744D+00 -0.854750D+00
      3  -0.976802D+00 -0.108141D+01  0.959928D+00 -0.235311D+00  0.507794D+00
                81            82            83            84            85 
      1  -0.235311D+00 -0.996731D+00  0.154778D+01 -0.829172D-01  0.706709D+00
      2   0.507794D+00  0.154778D+01 -0.221773D+01  0.985930D-01 -0.134028D+01
      3  -0.165143D+00 -0.829172D-01  0.985930D-01 -0.199295D+00  0.219561D+00
                86            87            88            89            90 
      1  -0.134028D+01  0.219561D+00 -0.839927D-02 -0.653893D-01  0.152426D+00
      2   0.106328D+02 -0.106565D+01 -0.653893D-01 -0.101509D+01  0.223652D+00
      3  -0.106565D+01  0.103054D+01  0.152426D+00  0.223652D+00 -0.146714D+00
                91            92            93            94            95 
      1  -0.214183D+02 -0.302675D+01 -0.186425D+01 -0.138221D+01 -0.199648D+01
      2  -0.302675D+01 -0.854701D+00 -0.266429D+00 -0.199648D+01  0.127981D+01
      3  -0.186425D+01 -0.266429D+00 -0.291858D+01  0.400122D+00  0.316153D+01
                96            97            98            99           100 
      1   0.400122D+00 -0.723766D+01 -0.611545D+00 -0.585649D+01 -0.721555D+01
      2   0.316153D+01 -0.611545D+00  0.217693D+01 -0.165413D+01  0.151110D+01
      3  -0.615904D+00 -0.585649D+01 -0.165413D+01 -0.427473D+00  0.175801D+01
               101           102           103           104           105 
      1   0.151110D+01  0.175801D+01 -0.160462D+01  0.219213D+01  0.597301D+00
      2   0.165887D+01  0.716300D+00  0.219213D+01 -0.149656D+01 -0.325621D+01
      3   0.716300D+00  0.340249D+01  0.597301D+00 -0.325621D+01  0.101081D+01
               106           107           108           109           110 
      1   0.200343D+01  0.771700D+00  0.234136D+01 -0.433590D+01 -0.120853D+01
      2   0.771700D+00 -0.238976D+01  0.236582D+01 -0.120853D+01 -0.557997D+00
      3   0.234136D+01  0.236582D+01  0.309120D+01 -0.245080D+00 -0.452793D+00
               111           112           113           114           115 
      1  -0.245080D+00 -0.133119D+01  0.628947D+00  0.441174D-02  0.123506D+02
      2  -0.452793D+00  0.628947D+00 -0.237426D+00 -0.147068D+00  0.446824D+00
      3   0.710323D+00  0.441174D-02 -0.147068D+00  0.444213D+00  0.535008D+01
               116           117           118           119           120 
      1   0.446824D+00  0.535008D+01  0.382469D+01  0.178942D+01 -0.152216D+01
      2   0.249974D+00  0.345476D+00  0.178942D+01  0.100112D+01 -0.513939D+00
      3   0.345476D+00  0.211503D+00 -0.152216D+01 -0.513939D+00  0.165351D+01
               121           122           123           124           125 
      1   0.562300D+01  0.167729D+01 -0.109875D+01 -0.228068D+01 -0.518430D+00
      2   0.167729D+01  0.247518D+01 -0.192852D+01 -0.518430D+00 -0.187654D+01
      3  -0.109875D+01 -0.192852D+01  0.180637D+01  0.248300D+01  0.160561D+01
               126           127           128           129           130 
      1   0.248300D+01 -0.780523D+00 -0.226398D+00 -0.117008D+01  0.379120D+00
      2   0.160561D+01 -0.226398D+00 -0.107811D+01 -0.943754D+00 -0.325254D+00
      3  -0.335989D+01 -0.117008D+01 -0.943754D+00 -0.253520D+01 -0.111937D+00
               131           132           133           134           135 
      1  -0.325254D+00 -0.111937D+00 -0.171667D+01  0.313070D+00 -0.399360D+00
      2  -0.103957D+01 -0.954132D+00  0.313070D+00 -0.186618D+01 -0.245715D+01
      3  -0.954132D+00 -0.128476D+01 -0.399360D+00 -0.245715D+01 -0.713407D+01
               136           137           138           139           140 
      1   0.437146D+00 -0.639556D+00  0.292382D+00 -0.131601D+01  0.379054D+00
      2  -0.639556D+00 -0.915327D+00  0.931116D-01  0.379054D+00 -0.429509D+01
      3   0.292382D+00  0.931116D-01 -0.752706D+00  0.463504D-01  0.147281D+01
               141           142           143           144           145 
      1   0.463504D-01  0.114632D+01 -0.634919D+00 -0.275596D+00  0.119859D+02
      2   0.147281D+01 -0.634919D+00  0.284616D+01 -0.145942D+01 -0.307042D+01
      3  -0.160863D+01 -0.275596D+00 -0.145942D+01  0.174027D+01 -0.217643D+01
               146           147           148           149           150 
      1  -0.307042D+01 -0.217643D+01 -0.165057D+01  0.128164D+01  0.150822D+00
      2   0.188745D+01  0.748959D+00  0.128164D+01 -0.494071D+00  0.753198D-02
      3   0.748959D+00  0.152493D+01  0.150822D+00  0.753198D-02 -0.123484D+00
               151           152           153           154           155 
      1  -0.135198D+01  0.233623D+00  0.123461D+01  0.193669D+02  0.270377D+01
      2   0.233623D+00  0.577495D-01 -0.542215D+00  0.270377D+01  0.234246D+01
      3   0.123461D+01 -0.542215D+00 -0.943753D+00  0.149538D+01  0.681504D+00
               156           157           158           159           160 
      1   0.149538D+01  0.359971D+01  0.419387D+01  0.253052D+00  0.231858D+01
      2   0.681504D+00  0.419387D+01  0.202761D+01  0.462013D+00  0.536270D+00
      3   0.313642D+01  0.253052D+00  0.462013D+00  0.390113D+00  0.284792D+01
               161           162           163           164           165 
      1   0.536270D+00  0.284792D+01  0.132528D+02  0.477527D+00  0.490519D+01
      2  -0.103514D+00  0.642369D+00  0.477527D+00 -0.554776D+00 -0.246190D+00
      3   0.642369D+00  0.592518D+00  0.490519D+01 -0.246190D+00  0.110904D+01
               166           167           168           169           170 
      1   0.223101D+01 -0.371394D+00  0.416204D+00  0.136760D+01 -0.453685D+00
      2  -0.371394D+00 -0.332493D+00  0.120007D+01 -0.453685D+00  0.632952D+00
      3   0.416204D+00  0.120007D+01 -0.263980D-01  0.481107D+00  0.182603D+00
               171           172           173           174           175 
      1   0.481107D+00 -0.114368D+02  0.112918D-01 -0.298180D+01 -0.128197D+01
      2   0.182603D+00  0.112918D-01 -0.492531D-01  0.159708D+00  0.335642D+00
      3   0.675769D+01 -0.298180D+01  0.159708D+00 -0.316287D+01 -0.386498D+00
               176           177           178           179           180 
      1   0.335642D+00 -0.386498D+00 -0.752629D+01  0.231301D-01 -0.306450D+01
      2  -0.116738D+00  0.640836D+00  0.231301D-01  0.110067D+01 -0.160710D+00
      3   0.640836D+00 -0.552653D+00 -0.306450D+01 -0.160710D+00 -0.283789D+00
               181           182           183           184           185 
      1  -0.578357D+01  0.132964D+01 -0.153070D+00 -0.141667D+02 -0.283000D+01
      2   0.132964D+01 -0.993654D+01  0.740865D-02 -0.283000D+01  0.529962D+01
      3  -0.153070D+00  0.740865D-02 -0.171787D+01  0.121938D+01 -0.337535D+00
               186           187           188           189           190 
      1   0.121938D+01  0.108443D+01 -0.630808D+00 -0.435340D+01 -0.378201D+02
      2  -0.337535D+00 -0.630808D+00  0.772719D-01 -0.260554D+01 -0.543877D+01
      3  -0.113436D+01 -0.435340D+01 -0.260554D+01  0.178136D+01  0.313246D+01
               191           192           193           194           195 
      1  -0.543877D+01  0.313246D+01 -0.111303D+01 -0.229381D+01 -0.703277D+00
      2  -0.894163D+01  0.105547D+01 -0.229381D+01 -0.125335D+02  0.930805D+00
      3   0.105547D+01 -0.290743D+01 -0.703277D+00  0.930805D+00  0.377168D+00
               196           197           198           199           200 
      1   0.295718D+01  0.783302D-01 -0.715417D+01  0.368539D+02  0.963039D+01
      2   0.783302D-01  0.224097D+01 -0.831055D+00  0.963039D+01  0.756287D+01
      3  -0.715417D+01 -0.831055D+00  0.180904D+01 -0.403874D+01 -0.734366D+00
               201           202           203           204           205 
      1  -0.403874D+01  0.162253D+02  0.340296D+01 -0.176702D+01 -0.621445D+01
      2  -0.734366D+00  0.340296D+01  0.595845D+01 -0.165517D+00 -0.952913D+00
      3   0.580621D+00 -0.176702D+01 -0.165517D+00  0.195220D+01  0.390750D+00
               206           207           208           209           210 
      1  -0.952913D+00  0.390750D+00  0.920645D+01  0.381054D+01 -0.153919D+01
      2  -0.540270D+00  0.477450D+01  0.381054D+01  0.321729D+01 -0.739846D+00
      3   0.477450D+01 -0.126978D+01 -0.153919D+01 -0.739846D+00 -0.108671D+00
               211           212           213           214           215 
      1  -0.164856D+01 -0.312272D+01  0.399850D+00 -0.826434D+00 -0.391349D-01
      2  -0.312272D+01  0.147606D+01  0.197712D+00 -0.391349D-01 -0.377598D+00
      3   0.399850D+00  0.197712D+00 -0.802886D+00 -0.480106D-01  0.794547D+00
               216           217           218           219           220 
      1  -0.480106D-01 -0.863044D+00 -0.432261D+01  0.858793D+00 -0.431796D+01
      2   0.794547D+00 -0.432261D+01 -0.736252D+00  0.114130D+01  0.260700D+01
      3  -0.640840D-02  0.858793D+00  0.114130D+01  0.446790D-02  0.118670D+01
               221           222           223           224           225 
      1   0.260700D+01  0.118670D+01  0.105668D+01  0.100567D+01  0.186690D+01
      2   0.144740D+01  0.670950D+00  0.100567D+01  0.870794D+00  0.409271D+01
      3   0.670950D+00  0.542463D+01  0.186690D+01  0.409271D+01 -0.192464D+01
               226           227           228           229           230 
      1   0.590560D+00 -0.145806D+01  0.816298D-01 -0.489644D+00  0.753812D+00
      2  -0.145806D+01  0.200162D+01 -0.907671D-02  0.753812D+00 -0.961073D+01
      3   0.816298D-01 -0.907671D-02  0.160798D+00 -0.116535D+00  0.704968D+00
               231           232           233           234           235 
      1  -0.116535D+00 -0.236226D-01  0.725886D-01 -0.924520D-01 -0.703498D+01
      2   0.704968D+00  0.725886D-01  0.825870D+00 -0.130889D+00 -0.304730D+01
      3  -0.911975D+00 -0.924520D-01 -0.130889D+00  0.116658D+00  0.111858D+01
               236           237           238           239           240 
      1  -0.304730D+01  0.111858D+01 -0.443244D+01 -0.432913D+01  0.900943D+00
      2  -0.266597D+01  0.557239D+00 -0.432913D+01 -0.473304D+01  0.887463D+00
      3   0.557239D+00 -0.503288D+00  0.900943D+00  0.887463D+00 -0.798608D+00
               241           242           243           244           245 
      1   0.142922D+01  0.849678D+00  0.251391D+00 -0.126194D+01  0.248235D+01
      2   0.849678D+00  0.794440D+00 -0.236356D+00  0.248235D+01 -0.209146D+01
      3   0.251391D+00 -0.236356D+00  0.488556D-01 -0.198404D+00 -0.616955D-01
               246           247           248           249           250 
      1  -0.198404D+00  0.306731D+01 -0.358075D+01  0.171936D+00 -0.250901D+00
      2  -0.616955D-01 -0.358075D+01  0.827610D+01 -0.442822D+00  0.830541D-01
      3  -0.282338D+00  0.171936D+00 -0.442822D+00  0.966022D+00 -0.200441D+00
               251           252           253           254           255 
      1   0.830541D-01 -0.200441D+00  0.115121D+01  0.150854D+00  0.691209D+00
      2  -0.665155D+00  0.914378D-01  0.150854D+00  0.414379D+00 -0.760243D-01
      3   0.914378D-01 -0.465295D-01  0.691209D+00 -0.760243D-01  0.477359D+00
               256           257           258           259           260 
      1  -0.139547D+01 -0.149600D+01  0.111387D+01  0.387851D+01  0.123091D+01
      2  -0.149600D+01 -0.210166D+01  0.183759D+01  0.123091D+01  0.184557D+01
      3   0.111387D+01  0.183759D+01 -0.286852D+01 -0.294902D+01 -0.269834D+01
               261           262           263           264           265 
      1  -0.294902D+01 -0.789050D+00 -0.569733D+00 -0.135365D+01 -0.283469D+01
      2  -0.269834D+01 -0.569733D+00 -0.205048D+00 -0.497628D+00 -0.258865D+01
      3   0.618627D+01 -0.135365D+01 -0.497628D+00 -0.670817D-01 -0.144318D+01
               266           267           268           269           270 
      1  -0.258865D+01 -0.144318D+01 -0.484394D+01 -0.198057D+01 -0.224994D+01
      2  -0.337943D+01 -0.198901D+01 -0.198057D+01 -0.243980D+01 -0.243866D+01
      3  -0.198901D+01 -0.245461D+01 -0.224994D+01 -0.243866D+01 -0.344110D+01
               271           272           273           274           275 
      1  -0.133784D+02  0.267638D+01  0.920278D+00  0.631741D+01 -0.215906D+01
      2   0.267638D+01 -0.128960D+01 -0.292416D+00 -0.215906D+01  0.177834D+01
      3   0.920278D+00 -0.292416D+00 -0.115305D+01 -0.600354D+00  0.937037D-01
               276           277           278           279 
      1  -0.600354D+00  0.564568D+00 -0.268631D+00 -0.156210D+01
      2   0.937037D-01 -0.268631D+00 -0.480506D-01 -0.268518D-01
      3   0.456407D+00 -0.156210D+01 -0.268518D-01  0.453904D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.255498D+01  0.428169D+01 -0.405136D+00  0.534877D+01  0.559940D+01
      2   0.145280D+02  0.648778D+01 -0.950560D+00 -0.142303D+02  0.528729D+00
      3  -0.437650D+01  0.415551D+02 -0.329983D+01  0.316374D+02  0.248395D+02
                 6             7             8             9            10 
      1  -0.122816D+01  0.335631D+01  0.716538D+01 -0.916493D+00  0.201018D+01
      2   0.976382D+00 -0.188493D+02 -0.258612D+01  0.227379D+01 -0.175701D+02
      3  -0.485392D+01 -0.251896D+01 -0.879663D+01 -0.766778D-01 -0.236039D+01
                11            12            13            14            15 
      1   0.694132D+01 -0.644339D+00  0.659039D+01  0.109412D+01 -0.234523D+00
      2   0.991942D+00 -0.225095D+01  0.206154D+02  0.387973D+01 -0.288603D+01
      3   0.480820D+02 -0.403976D+01  0.637460D+02  0.232703D+02 -0.854085D+01
                16            17            18            19            20 
      1   0.211434D+01  0.639960D+01 -0.103208D+01  0.353466D+01 -0.450446D+00
      2  -0.211365D+02 -0.159069D+01  0.246264D+01 -0.226928D+02 -0.812903D+01
      3  -0.509621D+01 -0.888281D+01  0.236178D+01  0.127014D+02 -0.327117D+02
                21            22            23            24            25 
      1  -0.451175D+00 -0.632221D+00  0.393266D+01 -0.227165D+01  0.530292D+01
      2   0.464972D+00 -0.118217D+02 -0.160477D+01 -0.136757D+01 -0.173210D+02
      3   0.134115D+01  0.257829D+01  0.254133D+01 -0.225709D-01  0.353453D+01
                26            27            28            29            30 
      1   0.101259D+01  0.275180D+01  0.277884D+01  0.723349D+00 -0.340015D+00
      2  -0.726306D+01  0.229459D+01  0.292002D+02  0.366048D+01  0.106184D+01
      3   0.522481D+01  0.297164D+01  0.110826D+02  0.868452D+01 -0.650437D+00
                31            32            33            34            35 
      1   0.575741D+01 -0.602305D+01  0.263477D+01 -0.159585D+01  0.150818D+02
      2   0.368094D+01 -0.141822D+00  0.333079D+00 -0.127429D+02 -0.119102D+01
      3   0.287090D+02  0.333035D+01  0.247543D+01 -0.351201D+01 -0.179667D+01
                36            37            38            39            40 
      1  -0.258451D+01  0.216716D+01 -0.515145D+01 -0.341568D+01 -0.364119D+01
      2   0.124192D+01  0.245808D+01  0.366205D+00  0.202841D+01  0.472719D+01
      3  -0.388679D+00  0.285984D+02  0.232302D+01 -0.848468D+00 -0.295721D+01
                41            42            43            44            45 
      1   0.564886D+01 -0.125486D+01 -0.168359D+02  0.754516D+01  0.155283D+01
      2   0.264486D+01  0.830131D+00 -0.819565D+01  0.748468D+01  0.112074D+01
      3   0.393373D+01 -0.182664D+01 -0.364338D+00 -0.194544D+01  0.747817D+01
                46            47            48            49            50 
      1  -0.548318D+01 -0.458179D-01  0.370628D+01 -0.188485D+01 -0.435643D+01
      2  -0.825843D+01 -0.126649D+01  0.109007D+01 -0.177980D+01 -0.143875D+01
      3  -0.495290D+02 -0.337764D+02  0.636181D+01 -0.878501D+01 -0.246328D+02
                51            52            53            54            55 
      1  -0.277887D+01  0.921100D+01 -0.520294D+01 -0.316560D+01 -0.123945D+01
      2   0.950454D+00 -0.171935D+02  0.136109D+01  0.164304D+00 -0.616155D+01
      3   0.325794D+01  0.773377D+01  0.602827D+01 -0.759595D+01 -0.285375D+02
                56            57            58            59            60 
      1  -0.602177D+01  0.409471D+01  0.118488D+01 -0.329513D+01 -0.185496D+01
      2  -0.394161D+01 -0.358825D+01 -0.363510D+01 -0.327483D+01  0.356633D+01
      3  -0.349987D+02  0.466014D+01 -0.229366D+01 -0.283588D+02  0.148249D+01
                61            62            63            64            65 
      1   0.623298D+01 -0.293161D+01 -0.647209D+00  0.769670D+00  0.509553D+00
      2  -0.220611D+02  0.622884D+01  0.703984D+00 -0.232585D+00 -0.348452D+00
      3   0.389245D+01  0.583572D+01 -0.118124D+02  0.330635D+00  0.986130D+00
                66            67            68            69            70 
      1   0.482652D+00 -0.441058D+00  0.175362D+01 -0.338469D+01  0.140713D+00
      2  -0.138135D+00 -0.676279D+00  0.885881D+00 -0.110480D+01 -0.176011D+01
      3  -0.204126D+00  0.526834D+01  0.428948D+01 -0.546293D+00 -0.328351D+00
                71            72            73            74            75 
      1   0.216911D+01 -0.229280D+00 -0.140286D+00 -0.118499D+01 -0.235629D+01
      2   0.137430D+01 -0.814057D-02  0.348054D+01  0.122573D+01  0.168742D+01
      3  -0.415388D+00 -0.814892D+00  0.906208D+01  0.153793D+00 -0.818158D+00
                76            77            78            79            80 
      1  -0.136255D+01 -0.204008D+01 -0.270147D+01  0.314329D+01  0.127411D+01
      2   0.172977D+01  0.141096D+01  0.219518D+01 -0.319888D+01 -0.445354D-01
      3   0.205538D+01 -0.148785D+01 -0.128804D+00 -0.182736D+01  0.144534D+00
                81            82            83            84            85 
      1  -0.228948D+00 -0.114811D+01  0.145368D+01  0.127645D+01  0.334721D+00
      2  -0.611786D+00 -0.792163D+00  0.841376D+00  0.612499D+00  0.721358D+00
      3  -0.125583D+01 -0.497404D+01  0.269599D+01  0.502189D-01  0.531323D+01
                86            87            88            89            90 
      1  -0.404248D+01 -0.447000D+01 -0.143869D+01  0.262059D+01  0.464448D+00
      2  -0.121361D+01 -0.851327D+00 -0.189333D+00 -0.794886D+00  0.260149D+00
      3  -0.375192D+01  0.687545D+00  0.550470D+00  0.501376D+00  0.112069D+01
                91            92            93            94            95 
      1  -0.537243D+00  0.954982D+00 -0.211331D+00 -0.175178D+01 -0.146115D+00
      2  -0.204969D+02 -0.202940D+01 -0.910329D+01  0.511816D+00  0.832721D+01
      3   0.141131D+01 -0.190761D+01 -0.114391D+01  0.158680D+02 -0.650696D+01
                96            97            98            99           100 
      1  -0.313818D+01 -0.238493D+01  0.333920D+01  0.324466D+01  0.524621D+00
      2  -0.161994D+01 -0.374030D+02 -0.528681D+01 -0.519902D+01 -0.275762D+01
      3  -0.126120D+02 -0.815982D+00 -0.114549D+02  0.542010D+01  0.101971D+02
               101           102           103           104           105 
      1  -0.300985D+01  0.389261D+01 -0.105859D+01 -0.374252D+01  0.548494D+01
      2   0.431852D+01  0.161523D+02  0.126944D+01 -0.862740D+01  0.451516D+01
      3  -0.159582D+02 -0.616220D+01 -0.103289D+02  0.995099D+00  0.137675D+02
               106           107           108           109           110 
      1   0.519980D+00  0.100341D+02  0.177928D+01 -0.453349D+01 -0.185490D+01
      2   0.832139D+01  0.919846D+01  0.137148D+02  0.198865D+02  0.248784D+01
      3  -0.500522D+01  0.943575D+01 -0.142725D+02  0.637749D+00  0.154610D+02
               111           112           113           114           115 
      1   0.395688D+01 -0.110902D+02 -0.353122D+01 -0.160441D+02  0.369309D+01
      2   0.935581D+00 -0.595919D+00  0.664280D+00 -0.260300D+01  0.189861D+02
      3   0.181601D+00  0.130125D+02  0.818814D+01  0.266315D+01 -0.239947D+00
               116           117           118           119           120 
      1  -0.443756D+01  0.154065D+01 -0.711293D+00 -0.128707D+01  0.450082D+00
      2  -0.133645D+01  0.225933D+00 -0.274333D+01 -0.595101D+00  0.576900D+01
      3   0.447267D+01 -0.722335D+00 -0.699488D+01 -0.572274D+01  0.195621D+01
               121           122           123           124           125 
      1  -0.162722D+00 -0.236780D+01  0.443997D+00  0.298899D+00  0.275331D+01
      2   0.877877D+00 -0.502733D+01  0.574682D+01  0.534371D+01  0.470735D+01
      3  -0.179922D+01 -0.879368D+01  0.687381D+01  0.158182D+01  0.810547D+01
               126           127           128           129           130 
      1  -0.942088D+00 -0.117661D+01  0.142118D+01 -0.277962D+01  0.363937D+00
      2  -0.898086D+01 -0.719918D+01 -0.302910D+01 -0.940748D+01 -0.150947D+00
      3  -0.614483D+01  0.374987D+01  0.486123D+01  0.601674D+01  0.322142D+01
               131           132           133           134           135 
      1  -0.256615D-01 -0.208628D+01 -0.175103D+01  0.127405D+01 -0.758783D+01
      2  -0.379819D+01 -0.477121D+01 -0.633635D+01 -0.802507D+01 -0.249532D+02
      3   0.407746D+01  0.428200D+01  0.297485D+01  0.641955D+01  0.121231D+02
               136           137           138           139           140 
      1   0.147979D+01  0.156213D+01 -0.210970D+01  0.415095D+00  0.769664D+01
      2   0.201152D+01 -0.525503D+00 -0.198552D+01 -0.687409D+00  0.534763D+01
      3   0.383060D+01  0.545694D+01 -0.147356D+01  0.368348D+01  0.173046D+02
               141           142           143           144           145 
      1  -0.701595D+01 -0.331652D+00 -0.494675D+01  0.658635D+01  0.316200D+00
      2  -0.533630D+01 -0.169560D+01 -0.520041D+01  0.564930D+01  0.673030D+01
      3  -0.686796D+01 -0.144324D+01 -0.114332D+02  0.770242D+01 -0.651610D+01
               146           147           148           149           150 
      1  -0.175882D+01  0.191702D+01 -0.116177D+01  0.678823D+00 -0.123990D+01
      2  -0.317795D+00  0.576559D+01 -0.106672D+01  0.181205D+01 -0.345781D+00
      3  -0.620596D+01 -0.170737D+00 -0.145575D+01  0.801530D+00 -0.130594D+01
               151           152           153           154           155 
      1   0.121860D+01 -0.426310D+00 -0.441916D+00  0.361360D+01  0.194548D+01
      2   0.241019D+01 -0.147485D+01 -0.231138D+01 -0.904690D+01  0.167253D+00
      3   0.109423D+01 -0.113824D+01  0.549863D+00 -0.626610D+01 -0.252847D+02
               156           157           158           159           160 
      1  -0.390608D+01  0.829951D+01  0.247770D+01  0.871456D+00 -0.189264D+01
      2   0.231758D+02  0.228146D+01 -0.126768D+01  0.404611D+01  0.862809D+01
      3  -0.124538D+01 -0.157384D+02 -0.109415D+02 -0.175477D+01 -0.453394D+00
               161           162           163           164           165 
      1   0.320503D+01 -0.185310D+00  0.500583D+01  0.172465D+01  0.108084D+01
      2   0.310482D+01  0.260154D+01 -0.816575D+01 -0.284572D+01  0.997462D+00
      3  -0.303237D+01 -0.183313D+01 -0.343158D+01 -0.322697D+01  0.449019D+00
               166           167           168           169           170 
      1   0.399289D+01 -0.235203D+00  0.441954D+01  0.174215D+01  0.741177D+01
      2  -0.252016D+01  0.550619D+01  0.344698D+00 -0.102600D+02  0.677392D+00
      3   0.198839D+01  0.547131D+00 -0.533347D+01  0.130870D+01 -0.272586D+01
               171           172           173           174           175 
      1  -0.125561D+01 -0.520232D+01 -0.157810D+01 -0.183463D+01 -0.507367D+01
      2   0.220286D+02  0.195711D+02  0.144362D+01 -0.551479D+01  0.313716D+01
      3   0.365086D+00  0.264040D+01  0.165489D+01  0.151485D+00  0.450677D+01
               176           177           178           179           180 
      1   0.114274D+00 -0.259105D+01 -0.179152D+01 -0.933218D+00 -0.653690D+00
      2   0.202645D+01 -0.823894D+00 -0.145145D+01  0.469188D+00  0.946780D+00
      3  -0.909878D-01 -0.794344D+00  0.589755D+00  0.104495D+01  0.234111D+00
               181           182           183           184           185 
      1  -0.610911D+00  0.416629D+01 -0.440990D+01 -0.263979D+01  0.101883D+00
      2   0.387967D+00  0.212481D+01  0.628568D+01 -0.601775D+01  0.214976D+01
      3   0.149247D+02  0.529034D+01 -0.211986D+01 -0.147470D+02  0.820873D+01
               186           187           188           189           190 
      1  -0.111137D+01 -0.122812D+02  0.641962D+01  0.209484D+01  0.235859D+01
      2   0.248392D+01 -0.260947D+01  0.107255D+02 -0.323555D+01 -0.121581D+02
      3   0.320415D+00  0.151550D+01 -0.340900D+01  0.551280D+00  0.655073D+01
               191           192           193           194           195 
      1   0.721294D+01  0.329314D+00  0.600658D+01  0.615216D+01  0.149357D+01
      2  -0.538977D+00 -0.332624D+00  0.303604D+01 -0.208028D+01 -0.358983D+00
      3   0.210684D+02 -0.316271D+01  0.404624D+02  0.526589D+01 -0.496984D+01
               196           197           198           199           200 
      1  -0.565910D+00  0.123494D+02 -0.177772D+01  0.212486D+00 -0.674895D+01
      2   0.264142D+01 -0.355736D+01 -0.216199D+01  0.145955D+02 -0.137658D+01
      3  -0.567029D+01 -0.483763D+01 -0.116634D+01  0.174062D+02 -0.381718D+02
               201           202           203           204           205 
      1   0.170069D+00 -0.609931D+00 -0.336920D+01 -0.216061D+01  0.675644D+01
      2   0.190568D+01  0.328440D+01 -0.172418D+01 -0.302578D+01 -0.201031D+02
      3   0.298923D+01 -0.550526D-01 -0.106174D+02  0.271824D+01  0.116663D+00
               206           207           208           209           210 
      1   0.248241D+01 -0.107578D+01 -0.203145D+01 -0.638596D+01 -0.789901D+00
      2  -0.169008D+02  0.477283D+01  0.329966D+01 -0.158865D+01  0.134704D+02
      3   0.844993D+01  0.832842D+01 -0.400765D+01 -0.399816D+02  0.360551D+01
               211           212           213           214           215 
      1   0.115920D-01  0.418656D+00 -0.443754D+01 -0.167324D+01 -0.975035D+00
      2  -0.759067D+00  0.546668D+00  0.389555D+01 -0.530275D+01 -0.170285D+01
      3  -0.191525D+01  0.123828D+02 -0.906163D+00  0.197605D+01  0.429748D+01
               216           217           218           219           220 
      1   0.107594D+01 -0.117288D+01  0.245795D+01  0.102854D+01  0.385800D+01
      2  -0.969384D+00 -0.601611D+01 -0.372661D+01 -0.689699D+00 -0.450339D+01
      3   0.275413D+01 -0.316490D+02  0.111616D+02  0.592763D+01  0.264107D+02
               221           222           223           224           225 
      1   0.332530D+01  0.377334D+01  0.100751D+02  0.619614D+01 -0.123750D+00
      2  -0.362534D+01 -0.346393D+02 -0.159233D+02 -0.269537D+02  0.122089D+02
      3   0.214184D+02  0.134440D+01  0.526732D+01  0.162277D+01  0.273298D+02
               226           227           228           229           230 
      1  -0.308321D+00  0.459765D+00  0.119066D+01 -0.169429D+00  0.363966D+00
      2  -0.501121D+00  0.102873D+00  0.216596D+00  0.548302D+00 -0.188592D+01
      3  -0.688090D+01  0.532742D+01  0.182985D+00  0.556898D+01 -0.193342D+02
               231           232           233           234           235 
      1  -0.443339D+01 -0.576934D+00  0.260583D+01  0.300190D+00  0.170999D+01
      2   0.712674D+00  0.187999D+00 -0.262828D+00 -0.953667D-02 -0.190508D+01
      3   0.167110D+01  0.313319D+00  0.129201D+01  0.545335D+00  0.575377D+01
               236           237           238           239           240 
      1   0.144127D+00 -0.191966D+01  0.564936D+00 -0.974841D-01 -0.263589D+01
      2  -0.131366D+01  0.212234D+01 -0.196884D+01 -0.223259D+01  0.362770D+01
      3  -0.493241D+01 -0.290535D+00 -0.588851D+01 -0.112877D+02  0.162462D+01
               241           242           243           244           245 
      1   0.222166D+01  0.951892D+00  0.235508D-01 -0.180691D+00  0.595237D+00
      2  -0.261510D+01  0.374667D+00 -0.277296D+00 -0.787764D-04  0.638495D+00
      3  -0.273611D+00  0.152910D+01 -0.128029D+01  0.387416D+01 -0.335167D+01
               246           247           248           249           250 
      1   0.117349D+01  0.389661D+00 -0.459016D+00 -0.385678D+01 -0.128099D+00
      2   0.122071D+01  0.226144D+00  0.597557D+00 -0.329988D+01 -0.169663D+01
      3  -0.338534D+00 -0.222001D+01  0.195323D+02 -0.124058D+01  0.841480D-02
               251           252           253           254           255 
      1   0.180199D+01  0.863135D-01 -0.795174D+00  0.307621D+00  0.939275D+00
      2   0.279555D+00  0.246161D+00 -0.598992D+01  0.684313D+00 -0.248673D+01
      3  -0.203009D+01 -0.167631D+00 -0.135060D+01  0.115158D+01 -0.944517D+00
               256           257           258           259           260 
      1  -0.101686D+00 -0.118777D+01 -0.183703D+01 -0.159455D+01  0.204177D+01
      2  -0.435999D+01 -0.101407D+02  0.165827D+02  0.117206D+02  0.160332D+02
      3  -0.732597D+01 -0.162994D+02  0.115087D+02  0.558896D+01  0.135354D+02
               261           262           263           264           265 
      1   0.327083D+01 -0.303462D+00 -0.326226D+00 -0.132110D+00 -0.228967D+01
      2  -0.348286D+02  0.867456D+01  0.286635D+01  0.133979D+01  0.718288D+01
      3  -0.173715D+02 -0.433847D+01 -0.275960D+01 -0.216893D+01 -0.130149D+02
               266           267           268           269           270 
      1  -0.258957D+01 -0.399127D+01 -0.327313D+01 -0.991574D+00 -0.475731D+01
      2   0.114111D+02  0.153277D+02  0.110659D+02  0.150562D+02  0.206143D+02
      3  -0.241504D+02 -0.115070D+02 -0.866672D+01 -0.161691D+02 -0.148771D+02
               271           272           273           274           275 
      1   0.164822D+01 -0.105758D+01  0.166854D-01 -0.125917D+01  0.832801D+00
      2   0.757674D-01  0.482952D+00  0.863416D+01  0.943232D+00  0.344345D+00
      3   0.217092D+02 -0.125326D+02 -0.211049D+01 -0.143145D+02  0.120752D+02
               276           277           278           279 
      1  -0.851370D+00 -0.116043D+01  0.318777D+00  0.151801D+00
      2  -0.310079D+01  0.754874D+01  0.347551D+00 -0.219625D+01
      3   0.745610D+00 -0.183119D+01  0.127463D+00 -0.558824D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.899153D+02 -0.461121D+02  0.115766D+02  0.886627D+02 -0.498025D+01
      2   0.508858D+02  0.272990D+02 -0.792580D+01 -0.438198D+02  0.799926D+01
      3   0.390295D+02  0.188131D+02 -0.365077D+01 -0.448429D+02 -0.301901D+01
      4  -0.430437D+02  0.200072D+01  0.270752D+01 -0.453681D+01  0.709746D+01
      5   0.137134D+02  0.212488D+01 -0.188012D+01  0.216298D+01  0.202998D+01
      6   0.839977D+00 -0.452664D+01  0.103263D+01  0.354417D+01  0.182846D+01
                 6             7             8             9            10 
      1  -0.945992D+01  0.230516D+01  0.475278D+01 -0.112831D+02  0.755882D+02
      2   0.341615D+01 -0.325238D+01 -0.404666D+01 -0.104569D+01 -0.297686D+02
      3   0.604377D+01  0.947225D+00 -0.706123D+00  0.123288D+02 -0.458197D+02
      4   0.324067D-01  0.523873D+01 -0.229515D+00 -0.423268D+00  0.700570D+01
      5  -0.620439D+00 -0.160792D+01  0.138831D+01  0.311690D+01 -0.105578D+02
      6  -0.600777D+00 -0.287445D+01  0.238570D+01  0.226970D+01  0.299935D+00
                11            12            13            14            15 
      1  -0.798278D+01 -0.766489D+01 -0.103326D+03 -0.278910D+02  0.118661D+02
      2   0.659582D+01  0.131459D+01  0.480713D+02  0.223782D+02 -0.760121D+01
      3   0.138696D+01  0.635030D+01  0.552546D+02  0.551277D+01 -0.426493D+01
      4   0.212848D+01 -0.184080D+01 -0.195711D+02 -0.137083D+02  0.242675D+01
      5  -0.600398D+00 -0.538977D+01  0.285300D+00 -0.341016D+00 -0.270740D+00
      6  -0.594734D+00 -0.514978D+00 -0.102459D+01 -0.506791D+01  0.527293D-01
                16            17            18            19            20 
      1   0.440496D+00  0.266374D+01 -0.846614D+01  0.561877D+02  0.509494D+02
      2  -0.257588D+01 -0.218483D+01 -0.148252D+01 -0.325610D+02 -0.354255D+02
      3   0.213539D+01 -0.478912D+00  0.994866D+01 -0.236268D+02 -0.155239D+02
      4   0.109537D+01  0.154273D+01 -0.191356D+01  0.408552D+02 -0.525131D+01
      5   0.119026D+01 -0.165409D+01  0.314725D+01 -0.112991D+02 -0.402742D+01
      6  -0.151991D+01  0.380753D+01  0.437362D+00 -0.664625D+00  0.103892D+02
                21            22            23            24            25 
      1  -0.148884D+02 -0.121459D+02  0.217165D+02 -0.726221D+01 -0.672134D+01
      2   0.857594D+01  0.173766D+02 -0.262530D+02  0.414578D+01 -0.394114D+00
      3   0.631247D+01 -0.523073D+01  0.453645D+01  0.311643D+01  0.711546D+01
      4  -0.353462D+01  0.168289D+02  0.468017D+00 -0.143160D+01 -0.114369D+02
      5  -0.191911D+01 -0.496433D+01 -0.160605D+01 -0.526739D+01  0.720992D+01
      6  -0.119319D+01 -0.331922D+01  0.863350D+01  0.428829D+01  0.474686D+00
                26            27            28            29            30 
      1  -0.171842D+02 -0.661973D+01  0.166937D+02 -0.100417D+01  0.873158D+01
      2   0.100819D+02 -0.429407D+01 -0.231125D+02  0.384851D+01 -0.417056D+01
      3   0.710228D+01  0.109138D+02  0.641886D+01 -0.284434D+01 -0.456102D+01
      4  -0.127452D+01 -0.354607D+01 -0.979853D+01  0.938244D+01 -0.141977D+01
      5  -0.865407D+01  0.440089D+01  0.104770D+02 -0.167394D+01  0.747157D+01
      6   0.958378D+01  0.364369D+01  0.269516D+01 -0.458579D+01  0.133779D+01
                31            32            33            34            35 
      1  -0.324932D+02 -0.656145D+02  0.953643D+01  0.157006D+02  0.106650D+02
      2   0.266004D+02  0.563185D+02 -0.104870D+02 -0.209804D+01 -0.798276D+01
      3   0.589280D+01  0.929602D+01  0.950605D+00 -0.136026D+02 -0.268223D+01
      4  -0.391595D+02  0.462986D+01 -0.109188D+01  0.884786D+01 -0.277463D+01
      5   0.959500D+01  0.178113D+01  0.371033D-01  0.266253D+02  0.492269D+01
      6   0.169685D+01 -0.167913D+02 -0.400167D+00 -0.373815D+00  0.557792D+01
                36            37            38            39            40 
      1  -0.622145D+01 -0.120620D+02 -0.643603D+02  0.100564D+02  0.284111D+02
      2  -0.782433D+01  0.608126D+01  0.507029D+02 -0.459113D+01 -0.283177D+02
      3   0.140458D+02  0.598078D+01  0.136574D+02 -0.546530D+01 -0.934567D-01
      4  -0.119635D+01 -0.914004D+01 -0.840021D+01  0.467497D+01  0.139821D+02
      5  -0.161523D+01 -0.205240D+01  0.883870D+01  0.345032D+01  0.143118D+01
      6   0.786503D+00  0.554591D+01 -0.990990D+01  0.811326D+01  0.382791D+01
                41            42            43            44            45 
      1   0.409524D+02 -0.567659D+01  0.598640D+01  0.723193D+01 -0.154747D+02
      2  -0.371518D+02  0.657922D+01  0.723241D+01 -0.279195D+00 -0.195245D+00
      3  -0.380060D+01 -0.902631D+00 -0.132188D+02 -0.695274D+01  0.156699D+02
      4  -0.150610D+02  0.318923D+01  0.907685D+01  0.484196D+01  0.913624D+01
      5   0.395290D+00  0.463221D+01  0.161839D+02  0.501296D+01 -0.625651D+01
      6   0.128942D+02 -0.734078D+00  0.193643D+02  0.101437D+02 -0.790920D+01
                46            47            48            49            50 
      1   0.216157D+02  0.485216D+02 -0.123965D+02 -0.104495D+02  0.230050D+01
      2  -0.156875D+02 -0.360125D+02  0.575585D+01  0.900234D+01 -0.113361D+02
      3  -0.592817D+01 -0.125090D+02  0.664060D+01  0.144716D+01  0.903562D+01
      4   0.818355D+00 -0.732436D+01  0.411755D+00  0.589145D+01  0.115286D+02
      5   0.103641D+02 -0.183476D+01 -0.829595D+00  0.174213D+01 -0.121205D+01
      6  -0.119847D+01  0.131392D+02 -0.807678D+01 -0.278017D+01  0.441623D+01
                51            52            53            54            55 
      1  -0.135905D+01 -0.425601D+01 -0.670771D+01 -0.222224D+02  0.128816D+02
      2   0.427337D+01  0.561651D+00  0.146935D+02  0.114189D+02 -0.152465D+02
      3  -0.291432D+01  0.369436D+01 -0.798576D+01  0.108035D+02  0.236492D+01
      4  -0.206796D+01 -0.135894D+01  0.227173D+01 -0.466128D+01  0.324831D+02
      5  -0.924863D-01  0.327559D+01 -0.505876D+00  0.455196D+01 -0.117284D+02
      6   0.663439D+01 -0.624309D+01  0.225131D+02 -0.452835D+01 -0.201656D+01
                56            57            58            59            60 
      1   0.533099D+02 -0.982086D+01  0.288307D+01  0.226841D+02 -0.428531D+01
      2  -0.342972D+02  0.514377D+01  0.131852D+01 -0.224723D+02  0.382808D+01
      3  -0.190127D+02  0.467710D+01 -0.420160D+01 -0.211825D+00  0.457236D+00
      4  -0.361748D+02  0.188463D+00  0.292385D+02  0.163676D+02 -0.181513D+01
      5  -0.377103D+00 -0.735043D+01 -0.459951D+01 -0.520163D+00  0.486042D+01
      6   0.484228D+01 -0.620598D+01 -0.180610D+01  0.509171D+01  0.570757D+01
                61            62            63            64            65 
      1  -0.367389D+01 -0.972885D+01 -0.200982D+02  0.712949D-01  0.467429D+00
      2   0.266962D+01  0.105359D+02  0.852441D+01  0.217274D+01 -0.164705D+01
      3   0.100428D+01 -0.807028D+00  0.115738D+02 -0.224403D+01  0.117962D+01
      4  -0.514810D+01  0.810677D+01  0.115566D+02 -0.501931D+01  0.804278D+01
      5   0.193294D+01  0.139338D+02  0.943211D+00 -0.138146D+01  0.105738D+01
      6  -0.972345D+00  0.215353D+02 -0.223718D+00  0.112367D+01 -0.116265D+01
                66            67            68            69            70 
      1  -0.333037D+00  0.386479D+01 -0.210036D+02  0.435924D-01 -0.207522D+01
      2   0.176508D+00 -0.733814D+01  0.270441D+02 -0.122761D+00  0.171963D+01
      3   0.156530D+00  0.347335D+01 -0.604053D+01  0.791687D-01  0.355588D+00
      4   0.114787D+00  0.118606D+02 -0.172959D+02 -0.126186D+00 -0.281089D+00
      5   0.622479D+00  0.137493D+01 -0.234721D+00 -0.199362D+01  0.234729D+00
      6  -0.443140D+00 -0.208356D+01  0.393244D+01  0.471031D+01 -0.168963D+01
                71            72            73            74            75 
      1   0.234104D+01 -0.235162D+01  0.488454D+01 -0.348689D+01  0.136591D+01
      2  -0.220078D+01  0.276276D+01  0.464183D+01  0.106464D+02 -0.110972D+01
      3  -0.140261D+00 -0.411146D+00 -0.952637D+01 -0.715951D+01 -0.256193D+00
      4   0.106926D+01 -0.463202D+00  0.275025D+02  0.228695D+02 -0.524583D+01
      5   0.546824D+00 -0.661030D-01 -0.872460D+01 -0.541883D+01  0.537912D+01
      6   0.135708D+01 -0.558333D+00 -0.744506D+01 -0.682304D+01  0.475978D+01
                76            77            78            79            80 
      1  -0.713500D+01 -0.146176D+02  0.405422D+01 -0.729077D+00  0.215471D+01
      2   0.158404D+02  0.248490D+02 -0.366694D+01 -0.245721D+01 -0.287905D+01
      3  -0.870545D+01 -0.102314D+02 -0.387283D+00  0.318628D+01  0.724333D+00
      4   0.265441D+02  0.300108D+02 -0.581796D+01 -0.622818D+01 -0.523697D+01
      5  -0.604501D+01 -0.616465D+01  0.473779D+01  0.143009D+01  0.321761D+01
      6  -0.864718D+01 -0.106063D+02  0.732666D+01  0.205591D+00  0.415340D+01
                81            82            83            84            85 
      1  -0.545558D+00 -0.514764D+01  0.903126D+01 -0.311654D+00  0.588734D+01
      2   0.130294D+01  0.780551D+01 -0.129711D+02  0.361339D+00 -0.752422D+01
      3  -0.757386D+00 -0.265786D+01  0.393985D+01 -0.496851D-01  0.163688D+01
      4   0.331416D+01 -0.504096D+01  0.127916D+02 -0.117936D+01  0.771009D+01
      5  -0.166798D+01  0.155977D+01 -0.249244D+01  0.200832D+01 -0.153456D+01
      6  -0.210056D+01 -0.168754D+01  0.186535D+01 -0.203168D+01  0.203309D+01
                86            87            88            89            90 
      1  -0.525619D+02  0.593502D+01 -0.112158D+00  0.458618D+01 -0.208141D+01
      2   0.703831D+02 -0.558242D+01  0.706392D+00 -0.564270D+01  0.241659D+01
      3  -0.178211D+02 -0.352599D+00 -0.594234D+00  0.105652D+01 -0.335189D+00
      4  -0.146912D+02  0.160820D+01 -0.844080D+00 -0.187778D+00 -0.139570D+01
      5   0.461104D+01 -0.168170D+01  0.100475D+01 -0.160424D+01  0.996595D-01
      6  -0.137265D+02  0.924017D+01  0.856723D+00  0.433629D+01 -0.158009D+01
                91            92            93            94            95 
      1  -0.338344D+02 -0.177077D+02 -0.104533D+02 -0.111274D+02  0.431010D+00
      2   0.280264D+02  0.147318D+02  0.522052D+01  0.111390D+02  0.859669D-01
      3   0.580799D+01  0.297589D+01  0.523279D+01 -0.115857D-01 -0.516977D+00
      4  -0.128225D+02 -0.102464D+02  0.220126D+01 -0.194518D+02  0.114801D+02
      5  -0.141816D+02  0.199483D+01 -0.220481D+02  0.667758D+01  0.257867D+02
      6   0.181972D+01  0.442837D+01 -0.851627D-01  0.656934D+01 -0.346572D+01
                96            97            98            99           100 
      1   0.857677D+01 -0.279200D+02 -0.677626D+00 -0.184257D+02 -0.574133D+02
      2  -0.977222D+01  0.198995D+02 -0.405641D+01  0.123434D+02  0.312073D+02
      3   0.119545D+01  0.802053D+01  0.473404D+01  0.608229D+01  0.262060D+02
      4   0.256739D+02  0.121307D+01  0.208707D+02 -0.890467D+01  0.278639D+02
      5  -0.348566D+01 -0.402323D+02 -0.110566D+02  0.149909D+01  0.279265D+02
      6  -0.917217D+01 -0.466408D+01 -0.293529D+01  0.621774D+01 -0.640690D+01
               101           102           103           104           105 
      1   0.254404D+02  0.259513D+02  0.672035D+01  0.506490D+01 -0.541744D+01
      2  -0.180965D+02 -0.544597D+01 -0.826935D+01 -0.470963D+01  0.185207D+02
      3  -0.734390D+01 -0.205053D+02  0.154900D+01 -0.355268D+00 -0.131032D+02
      4   0.961993D+01 -0.887679D+00  0.162621D+02 -0.149344D+02 -0.252005D+02
      5  -0.419849D+00  0.196412D+02  0.197396D+01 -0.265453D+02  0.487939D+01
      6  -0.382004D+01 -0.119899D+02 -0.698587D+01  0.134536D+02 -0.431390D+00
               106           107           108           109           110 
      1   0.185004D+02  0.746985D+00  0.358112D+02 -0.993012D+02 -0.141003D+02
      2  -0.714194D+01  0.144557D+02 -0.144283D+02  0.402980D+02  0.120423D+01
      3  -0.113584D+02 -0.152027D+02 -0.213829D+02  0.590033D+02  0.128961D+02
      4   0.220181D+01 -0.171371D+02  0.849578D+01 -0.254346D+02 -0.231609D+02
      5   0.139255D+02  0.142004D+02  0.123817D+02 -0.179152D+02 -0.729030D+01
      6  -0.756905D+01 -0.631101D+01 -0.143383D+02 -0.239087D+01 -0.208670D+01
               111           112           113           114           115 
      1  -0.109631D+02 -0.118951D+02 -0.930098D+01 -0.502552D+01  0.357039D+02
      2   0.312412D+01  0.163352D+01  0.732253D+01  0.144993D+01 -0.284741D+02
      3   0.783899D+01  0.102616D+02  0.197845D+01  0.357559D+01 -0.722981D+01
      4  -0.562725D+01  0.810780D+01 -0.925331D+01 -0.217820D+01 -0.355079D+01
      5  -0.116110D+02 -0.534777D+01 -0.327605D+01 -0.109284D+01  0.333752D+02
      6  -0.206240D+01 -0.430817D+01 -0.270541D+00  0.290936D+01  0.698030D+01
               116           117           118           119           120 
      1   0.354131D+00  0.264663D+02  0.166388D+02  0.908208D+01 -0.605773D+01
      2  -0.215708D+01 -0.821709D+01 -0.123892D+02 -0.655447D+01  0.557606D+01
      3   0.180295D+01 -0.182493D+02 -0.424960D+01 -0.252761D+01  0.481667D+00
      4  -0.225437D+01  0.287353D+01  0.150917D+02  0.119266D+02 -0.538411D+01
      5   0.409479D+01  0.260246D+01 -0.158648D+02 -0.642331D+01  0.168671D+02
      6  -0.255514D+01 -0.651836D+00 -0.544200D+01 -0.322156D+01  0.310666D+01
               121           122           123           124           125 
      1   0.188435D+02  0.223175D+01 -0.115830D+01 -0.838704D+01 -0.466481D+00
      2  -0.121996D+02 -0.140536D+01  0.348611D+01  0.871738D+01  0.423702D+01
      3  -0.664386D+01 -0.826386D+00 -0.232781D+01 -0.330336D+00 -0.377054D+01
      4   0.144639D+02  0.188463D+02 -0.151650D+02 -0.675648D+01 -0.153514D+02
      5  -0.118690D+02 -0.158186D+02  0.142862D+02  0.231433D+02  0.127519D+02
      6  -0.479600D+01 -0.857123D+01  0.873357D+01  0.460450D+01  0.761022D+01
               126           127           128           129           130 
      1   0.188153D+01 -0.626088D+01 -0.958406D+01 -0.200879D+02 -0.161364D+01
      2  -0.102379D+02  0.278633D+00  0.611762D+01  0.388048D+01  0.946376D+00
      3   0.835641D+01  0.598225D+01  0.346644D+01  0.162074D+02  0.667264D+00
      4   0.124841D+02  0.622742D+00 -0.525881D+01 -0.112056D+01 -0.995304D-01
      5  -0.269123D+02 -0.407416D+01 -0.376854D+01 -0.937295D+01  0.598247D+00
      6  -0.792995D+01  0.379126D+01  0.594400D+01  0.106223D+02  0.136399D+01
               131           132           133           134           135 
      1  -0.102061D+02 -0.830489D+01 -0.124911D+02 -0.121451D+02 -0.376142D+02
      2   0.587488D+01  0.344000D+01  0.427444D+01  0.371262D+01 -0.185915D+01
      3   0.433123D+01  0.486489D+01  0.821668D+01  0.843251D+01  0.394733D+02
      4  -0.418911D+01 -0.420945D+01  0.701032D+01 -0.107126D+02 -0.111384D+02
      5  -0.399406D+01 -0.667666D+01  0.467762D+01 -0.149788D+02 -0.394323D+02
      6   0.677555D+01  0.112913D+02  0.598026D+00  0.151337D+02  0.283162D+02
               136           137           138           139           140 
      1   0.167811D+01 -0.994552D+01  0.938357D+00 -0.754531D+01 -0.165298D+02
      2   0.176178D+01  0.926358D+01 -0.289400D+01  0.284225D+01  0.300618D+02
      3  -0.343989D+01  0.681939D+00  0.195564D+01  0.470306D+01 -0.135320D+02
      4  -0.483219D+01 -0.263668D+01 -0.256719D+00  0.773035D+01 -0.272125D+02
      5   0.857969D+00  0.165062D+01 -0.421263D+01  0.155776D+01  0.113495D+02
      6  -0.664994D+00  0.226437D+00  0.316996D+01 -0.886349D-01 -0.321482D+01
               141           142           143           144           145 
      1   0.546923D+01  0.458311D+01  0.707199D+01 -0.954357D+01  0.922269D+02
      2  -0.121385D+02 -0.155810D+01 -0.162011D+02  0.102174D+02 -0.465938D+02
      3   0.666929D+01 -0.302501D+01  0.912915D+01 -0.673807D+00 -0.456331D+02
      4   0.934545D+01 -0.736736D+01  0.198425D+02 -0.817370D+01 -0.499578D+02
      5  -0.111561D+02 -0.142395D+01 -0.100355D+02  0.128039D+02 -0.376180D+02
      6   0.734226D+01  0.980705D+00  0.565925D+01 -0.689556D+01  0.100809D+02
               146           147           148           149           150 
      1  -0.178903D+02 -0.135486D+02 -0.883806D+01  0.857736D+01  0.139814D+01
      2   0.501572D+01  0.948259D+01  0.815131D+00 -0.174769D+01 -0.134498D+01
      3   0.128746D+02  0.406601D+01  0.802293D+01 -0.682967D+01 -0.531636D-01
      4   0.244245D+02  0.101870D+02  0.165017D+02 -0.827007D+01 -0.840032D+00
      5   0.102029D+02  0.191244D+02  0.312857D+01 -0.222200D+01 -0.158550D+01
      6  -0.580693D+01 -0.592639D+01 -0.380501D+01  0.953662D+00  0.218224D+01
               151           152           153           154           155 
      1  -0.956865D+01  0.160368D+01  0.577758D+01  0.204953D+03  0.260079D+02
      2   0.757045D+01 -0.274350D+01 -0.527734D+01 -0.965078D+02 -0.897068D+01
      3   0.199820D+01  0.113981D+01 -0.500241D+00 -0.108445D+03 -0.170372D+02
      4   0.481686D+01 -0.499913D+00 -0.594881D+01  0.363917D+02  0.432017D+02
      5   0.161973D+02 -0.518392D+01 -0.964401D+01  0.398880D+02  0.818853D+01
      6  -0.433928D+01  0.300757D+01  0.362241D+01  0.852243D+00  0.464506D+01
               156           157           158           159           160 
      1   0.120760D+02  0.237224D+02  0.340775D+02  0.788564D+00  0.127494D+02
      2  -0.114905D+02 -0.677286D+01 -0.112369D+02 -0.834796D+00 -0.115691D+02
      3  -0.585507D+00 -0.169496D+02 -0.228407D+02  0.462324D-01 -0.118032D+01
      4   0.608353D+01  0.495268D+02  0.253241D+02  0.497773D+01  0.490162D+01
      5   0.414772D+02  0.505512D+01  0.872468D+01  0.601720D+01  0.393154D+02
      6   0.143474D+01  0.914346D+01  0.363332D+01  0.582807D+01  0.219195D+01
               161           162           163           164           165 
      1   0.128348D+01  0.225201D+02  0.569348D+02  0.589826D+01  0.193151D+02
      2  -0.114741D+01 -0.158374D+02 -0.390845D+02 -0.238376D+01 -0.118077D+02
      3  -0.136067D+00 -0.668277D+01 -0.178503D+02 -0.351449D+01 -0.750741D+01
      4   0.366210D+01  0.606175D+01  0.728159D+01  0.604418D+01 -0.106293D+01
      5   0.657902D+01  0.122154D+02  0.367912D+02 -0.489392D+00  0.199592D+02
      6   0.499618D+01  0.176901D+01  0.345809D+01  0.527039D+00  0.598353D+00
               166           167           168           169           170 
      1   0.104122D+02 -0.107265D+02 -0.173028D+00 -0.279698D+01 -0.208163D+01
      2  -0.613316D+01  0.345240D+01  0.447094D+00 -0.138825D+01  0.143039D+01
      3  -0.427908D+01  0.727413D+01 -0.274066D+00  0.418523D+01  0.651243D+00
      4   0.233754D+01 -0.220308D+01  0.894890D+01 -0.203862D+01  0.498683D+01
      5   0.384396D+01  0.811346D+01 -0.442114D+00  0.129290D+02 -0.191732D+00
      6   0.193438D+01  0.274593D+00  0.114717D+02 -0.164269D+01  0.102707D+02
               171           172           173           174           175 
      1  -0.334931D+02 -0.532352D+02 -0.216927D+01  0.152442D+01 -0.794778D+01
      2  -0.106445D+02  0.339411D+02  0.141059D+01  0.816260D+01  0.581130D+01
      3   0.441376D+02  0.192941D+02  0.758677D+00 -0.968702D+01  0.213648D+01
      4  -0.141785D+01 -0.393176D+01 -0.381749D+01  0.375972D+00  0.185342D+00
      5   0.379674D+02 -0.295372D+02  0.555314D+00 -0.183709D+02 -0.292723D+01
      6  -0.976924D+00 -0.297100D+01 -0.300684D+01  0.761779D-01 -0.888213D+00
               176           177           178           179           180 
      1  -0.370485D+01  0.706533D+00 -0.169445D+02 -0.101167D+01 -0.998062D+01
      2   0.218241D+01  0.103020D+01  0.164321D+02  0.108650D+01  0.675391D+01
      3   0.152244D+01 -0.173673D+01  0.512350D+00 -0.748307D-01  0.322671D+01
      4  -0.219850D+00  0.243645D+01 -0.177214D+01 -0.736707D+00 -0.179280D+00
      5   0.226562D+01 -0.251833D+01 -0.178724D+02 -0.180437D+00 -0.722706D+01
      6  -0.102817D+01  0.255139D+01 -0.956119D+00  0.443356D+00 -0.100493D+01
               181           182           183           184           185 
      1  -0.321793D+01 -0.539842D+02  0.760768D+01  0.896013D+02  0.308502D+02
      2   0.580601D+01  0.382552D+02 -0.409746D+01 -0.619342D+02 -0.247846D+02
      3  -0.258808D+01  0.157290D+02 -0.351023D+01 -0.276670D+02 -0.606559D+01
      4  -0.231580D+02  0.424635D+02  0.308169D+01  0.260948D+02 -0.339257D+02
      5   0.118160D+02  0.388899D+01  0.116760D+02 -0.590646D+01  0.602580D+01
      6   0.474051D+01  0.477952D+00  0.730395D+01  0.419097D+01  0.459811D+01
               186           187           188           189           190 
      1  -0.101787D+02 -0.369946D+01  0.676866D+01  0.255552D+01  0.136095D+03
      2   0.790132D+01  0.709452D+01 -0.200111D+01 -0.919049D+01 -0.733995D+02
      3   0.227735D+01 -0.339506D+01 -0.476755D+01  0.663496D+01 -0.626960D+02
      4   0.354141D+01  0.764029D+01  0.328942D+01  0.177400D+02  0.784043D+01
      5   0.722029D+01  0.293915D+02  0.171527D+02 -0.685052D+01 -0.269923D+01
      6   0.237253D+01  0.169853D+02  0.900067D+01 -0.304385D+01  0.255671D+01
               191           192           193           194           195 
      1   0.252992D+02 -0.130097D+02 -0.304639D+02 -0.285206D+02  0.920647D+01
      2  -0.151080D+02  0.426458D+01  0.293257D+02  0.288330D+02 -0.908168D+01
      3  -0.101912D+02  0.874510D+01  0.113823D+01 -0.312346D+00 -0.124794D+00
      4   0.285092D+02 -0.404869D+01 -0.260329D+02  0.609787D+02 -0.302968D+01
      5  -0.532639D+01  0.591927D+00  0.990312D+01 -0.652751D+01 -0.704771D+00
      6   0.249475D+01 -0.250207D+01  0.118795D+01 -0.341658D+01 -0.215441D+01
               196           197           198           199           200 
      1  -0.657933D+00  0.349928D+01  0.258940D+02 -0.109135D+03 -0.510557D+01
      2  -0.519776D+00 -0.337405D+01 -0.228708D+02  0.468916D+02  0.383217D+00
      3   0.117771D+01 -0.125229D+00 -0.302319D+01  0.622436D+02  0.472235D+01
      4   0.669013D+01 -0.884999D+01  0.456838D+00 -0.909575D+01 -0.332143D+02
      5   0.497160D+02  0.625887D+01 -0.615787D+01  0.117549D+02  0.159257D+01
      6  -0.229946D+01  0.274583D+01  0.293806D+01 -0.280430D+01  0.259283D+01
               201           202           203           204           205 
      1   0.848099D+01 -0.794566D+02 -0.563207D+01  0.539599D+01  0.197993D+02
      2  -0.345839D+01  0.496680D+02 -0.893138D+01 -0.185482D+01 -0.111975D+02
      3  -0.502260D+01  0.297886D+02  0.145635D+02 -0.354117D+01 -0.860182D+01
      4   0.138703D+01 -0.189737D+01 -0.197984D+02 -0.902224D+00 -0.188152D+01
      5   0.381491D+01  0.578195D+01  0.606605D+00 -0.733429D+01  0.241025D+01
      6   0.979276D-01 -0.374461D+01  0.378929D+01  0.466286D+01 -0.333819D+01
               206           207           208           209           210 
      1  -0.500627D+01 -0.197016D+02 -0.520008D+01 -0.285325D+02  0.819998D+01
      2   0.711290D+01  0.432473D+01  0.121041D+01  0.160769D+02 -0.900912D+00
      3  -0.210663D+01  0.153769D+02  0.398966D+01  0.124556D+02 -0.729907D+01
      4   0.230306D+01 -0.248988D+02 -0.246304D+02  0.840975D+01  0.440296D+01
      5  -0.267255D+02  0.975507D+01  0.304252D+01  0.433533D+01  0.258007D+02
      6   0.168109D+02 -0.762250D+00  0.940960D+00 -0.248097D+01  0.307620D+01
               211           212           213           214           215 
      1  -0.174585D+01  0.120472D+02  0.661071D+00  0.216362D+01  0.914484D+00
      2  -0.347852D+01 -0.362701D+01  0.172481D+01 -0.101644D+00 -0.338350D+00
      3   0.522438D+01 -0.842021D+01 -0.238589D+01 -0.206197D+01 -0.576134D+00
      4   0.360645D+02 -0.187946D+02 -0.879021D+00 -0.118290D+01  0.357548D-02
      5  -0.339413D+00  0.132985D+01  0.614773D+01  0.920164D+01 -0.672287D+01
      6  -0.959265D+00  0.214351D+01  0.710619D+01 -0.336228D+01  0.431201D+01
               216           217           218           219           220 
      1  -0.704204D+00 -0.479924D+02  0.491279D+02 -0.145203D+01  0.550245D+02
      2  -0.411404D+00  0.272852D+02 -0.265011D+02 -0.659070D+00 -0.275120D+02
      3   0.111561D+01  0.207072D+02 -0.226268D+02  0.211109D+01 -0.275125D+02
      4  -0.749989D+01  0.480651D+02 -0.186585D+01 -0.124647D+02 -0.331193D+02
      5  -0.327760D+01 -0.106124D+01 -0.132765D+02 -0.693115D+01 -0.149149D+02
      6  -0.780482D+00 -0.569578D+01 -0.810244D+00 -0.106687D+01 -0.781488D+00
               221           222           223           224           225 
      1  -0.111458D+02 -0.193172D+02 -0.483272D+01 -0.151897D+02  0.291555D+01
      2   0.492148D+01  0.180179D+01 -0.201142D+01  0.196106D+01  0.750148D+00
      3   0.622434D+01  0.175154D+02  0.684414D+01  0.132287D+02 -0.366570D+01
      4  -0.219221D+02 -0.872812D+01 -0.121236D+02 -0.953326D+01 -0.452713D+02
      5  -0.973155D+01 -0.658465D+02 -0.223958D+02 -0.470158D+02  0.198981D+02
      6  -0.116318D+01 -0.138726D+02 -0.965492D+01 -0.110057D+02  0.715050D+01
               226           227           228           229           230 
      1  -0.547652D+01  0.138337D+02 -0.463794D+00  0.530528D+01 -0.481035D+02
      2   0.637852D+01 -0.136288D+02  0.510275D+00 -0.464491D+01  0.601308D+02
      3  -0.902000D+00 -0.204941D+00 -0.464817D-01 -0.660371D+00 -0.120273D+02
      4   0.140040D+01  0.437404D+01 -0.808798D+00  0.317351D+01  0.190794D+02
      5   0.219482D+00 -0.110505D+01  0.101085D+01 -0.199575D+00  0.104244D+01
      6  -0.196611D+00 -0.247192D+00 -0.152908D+01  0.394363D+00 -0.292913D+01
               231           232           233           234           235 
      1   0.382099D+01  0.211918D+00  0.321321D+01 -0.163639D+01  0.436699D+02
      2  -0.379495D+01 -0.577181D-01 -0.426278D+01  0.215215D+01 -0.171121D+02
      3  -0.260457D-01 -0.154199D+00  0.104957D+01 -0.515755D+00 -0.265578D+02
      4  -0.129741D+01 -0.559152D+00 -0.260167D+01 -0.129436D+01  0.323469D+02
      5   0.188457D+01  0.150216D+01 -0.893205D+00 -0.837961D-01 -0.828211D+01
      6   0.711079D+01  0.651702D-01  0.256111D+01 -0.864836D+00 -0.310661D+01
               236           237           238           239           240 
      1   0.124891D+02 -0.575011D+01  0.155264D+02  0.805873D+01 -0.173498D+01
      2  -0.341262D-01  0.240125D+01  0.328845D+01  0.103084D+02 -0.623934D+00
      3  -0.124550D+02  0.334886D+01 -0.188149D+02 -0.183671D+02  0.235891D+01
      4   0.253561D+02 -0.537189D+01  0.383982D+02  0.398805D+02 -0.705646D+01
      5  -0.379827D+01  0.471979D+01 -0.580298D+01 -0.477047D+01  0.619367D+01
      6  -0.244378D+01  0.246858D+01 -0.404062D+01 -0.444857D+01  0.495988D+01
               241           242           243           244           245 
      1  -0.739540D+01 -0.223836D+01 -0.652874D+00  0.733011D+00 -0.613592D+01
      2   0.185681D+01 -0.721698D+00  0.101267D+01  0.472401D+01 -0.239033D+01
      3   0.553859D+01  0.296006D+01 -0.359798D+00 -0.545702D+01  0.852625D+01
      4  -0.801381D+01 -0.674504D+01  0.281524D+01 -0.191395D+02  0.206544D+02
      5  -0.596123D+00  0.182677D+01 -0.128381D+01  0.247987D+01 -0.133551D+01
      6  -0.408027D+00  0.197394D+01 -0.105681D+01 -0.854518D+00  0.900101D-01
               246           247           248           249           250 
      1   0.981422D+00 -0.328733D+01 -0.153269D+02  0.105161D+01  0.642221D+00
      2  -0.464767D+00 -0.838454D+01  0.327195D+02 -0.856148D+00 -0.307784D-01
      3  -0.516655D+00  0.116719D+02 -0.173926D+02 -0.195463D+00 -0.611443D+00
      4  -0.299844D+00  0.280418D+02 -0.530723D+02  0.292782D+01 -0.997544D+00
      5   0.275217D+01 -0.293857D+01  0.608301D+01 -0.635254D+01  0.208067D+01
      6  -0.170706D+01  0.155398D+01 -0.324558D+01  0.647758D+01 -0.245448D+01
               251           252           253           254           255 
      1   0.228410D+01 -0.121064D+01 -0.336973D+01  0.124721D+01 -0.122389D+02
      2  -0.258461D+01  0.236517D+01  0.478281D+00 -0.644677D+00  0.467505D+01
      3   0.300512D+00 -0.115453D+01  0.289145D+01 -0.602535D+00  0.756388D+01
      4   0.353299D+01 -0.157952D+01 -0.628720D+00 -0.965370D+00 -0.152545D+01
      5  -0.727718D+00  0.335515D+00 -0.957490D+01 -0.948553D+00 -0.785715D+00
      6   0.258526D+01 -0.798521D+00 -0.166246D+01  0.511147D+00 -0.117182D+01
               256           257           258           259           260 
      1   0.115120D+02  0.279318D+01 -0.514191D+00 -0.341108D+02 -0.115368D+01
      2  -0.686973D+01 -0.754852D+00  0.273226D+01  0.230483D+02  0.328295D+01
      3  -0.464227D+01 -0.203833D+01 -0.221807D+01  0.110625D+02 -0.212928D+01
      4   0.203155D+02  0.246816D+02 -0.200493D+02 -0.158679D+02 -0.209251D+02
      5  -0.142026D+02 -0.195459D+02  0.328443D+02  0.370919D+02  0.295159D+02
      6  -0.497807D+01 -0.822141D+01  0.114554D+02  0.824611D+01  0.108935D+02
               261           262           263           264           265 
      1   0.206466D+01  0.177832D+02  0.785124D+01  0.131197D+02  0.273107D+02
      2  -0.149044D+02 -0.777338D+01 -0.291117D+01 -0.635738D+01 -0.104244D+02
      3   0.128397D+02 -0.100098D+02 -0.494006D+01 -0.676229D+01 -0.168863D+02
      4   0.285553D+02  0.966362D+01  0.704375D+01  0.723852D+01  0.348218D+02
      5  -0.660864D+02  0.156506D+02  0.685744D+01  0.353734D+01  0.184526D+02
      6  -0.147369D+02  0.317145D+01  0.852870D+00 -0.129937D+00  0.459981D+01
               266           267           268           269           270 
      1   0.144164D+02  0.898756D+01  0.448459D+02  0.122728D+02  0.922113D+01
      2  -0.140885D+00 -0.775755D+00 -0.217746D+02 -0.298004D+01 -0.638391D+01
      3  -0.142755D+02 -0.821180D+01 -0.230713D+02 -0.929276D+01 -0.283722D+01
      4   0.411402D+02  0.228036D+02  0.254722D+02  0.284362D+02  0.272286D+02
      5   0.240426D+02  0.300338D+02  0.296261D+02  0.288982D+02  0.409760D+02
      6   0.635710D+01  0.791783D+01  0.738561D+01  0.817126D+01  0.819671D+01
               271           272           273           274           275 
      1   0.176070D+03 -0.324725D+02 -0.112507D+02 -0.732084D+02  0.255256D+02
      2  -0.922100D+02  0.170343D+02  0.713071D+01  0.379263D+02 -0.120366D+02
      3  -0.838599D+02  0.154382D+02  0.411995D+01  0.352821D+02 -0.134890D+02
      4  -0.360723D+02  0.202815D+02  0.366056D+01  0.321451D+02 -0.234746D+02
      5  -0.155635D+02  0.395608D+01  0.177692D+02  0.802749D+01 -0.167763D+01
      6   0.329178D+01 -0.149944D+01 -0.561852D+00 -0.257775D+01  0.202871D+01
               276           277           278           279 
      1   0.594433D+01 -0.687726D+01  0.275851D+01  0.152380D+02
      2  -0.338930D+01  0.520209D+01 -0.123094D+01 -0.922212D+01
      3  -0.255502D+01  0.167516D+01 -0.152757D+01 -0.601591D+01
      4  -0.159995D+01  0.320395D+01  0.290795D+00 -0.812090D+00
      5  -0.665294D+01  0.228156D+02 -0.683541D+00 -0.570739D+01
      6   0.200468D+01 -0.109028D+01  0.244581D+01  0.304674D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 13:12:53 2021, MaxMem=  6442450944 cpu:           53837.5 elap:            6744.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31026 -19.30886 -19.24817 -10.43360 -10.37851
 Alpha  occ. eigenvalues --  -10.36582 -10.33281 -10.32841 -10.32716 -10.32355
 Alpha  occ. eigenvalues --  -10.32291 -10.32145 -10.32018 -10.31811 -10.31733
 Alpha  occ. eigenvalues --  -10.30794 -10.30790  -1.19668  -1.17477  -1.11283
 Alpha  occ. eigenvalues --   -0.99251  -0.94798  -0.90343  -0.88564  -0.84754
 Alpha  occ. eigenvalues --   -0.84213  -0.79648  -0.76508  -0.73248  -0.71201
 Alpha  occ. eigenvalues --   -0.70859  -0.69429  -0.64100  -0.63050  -0.62201
 Alpha  occ. eigenvalues --   -0.60253  -0.57586  -0.57558  -0.55991  -0.55345
 Alpha  occ. eigenvalues --   -0.54801  -0.54111  -0.52698  -0.52234  -0.50912
 Alpha  occ. eigenvalues --   -0.50538  -0.49991  -0.49336  -0.47678  -0.46680
 Alpha  occ. eigenvalues --   -0.46040  -0.45373  -0.44147  -0.43835  -0.42198
 Alpha  occ. eigenvalues --   -0.40930  -0.40601  -0.38535  -0.35846  -0.32736
 Alpha  occ. eigenvalues --   -0.29482
 Alpha virt. eigenvalues --    0.00022   0.03423   0.06546   0.07370   0.07805
 Alpha virt. eigenvalues --    0.08251   0.09247   0.10542   0.10796   0.11264
 Alpha virt. eigenvalues --    0.12395   0.13143   0.13193   0.14166   0.14506
 Alpha virt. eigenvalues --    0.15385   0.15778   0.16307   0.16844   0.17388
 Alpha virt. eigenvalues --    0.18167   0.18301   0.18783   0.18812   0.19626
 Alpha virt. eigenvalues --    0.19908   0.20484   0.21076   0.21973   0.22132
 Alpha virt. eigenvalues --    0.22602   0.23438   0.23669   0.23805   0.24547
 Alpha virt. eigenvalues --    0.25043   0.25306   0.25825   0.26539   0.26944
 Alpha virt. eigenvalues --    0.27284   0.28111   0.28400   0.28822   0.29439
 Alpha virt. eigenvalues --    0.29893   0.30194   0.30590   0.30802   0.30971
 Alpha virt. eigenvalues --    0.32225   0.32481   0.32579   0.32813   0.33761
 Alpha virt. eigenvalues --    0.34593   0.34684   0.34937   0.35854   0.36037
 Alpha virt. eigenvalues --    0.36450   0.36680   0.37605   0.37786   0.38004
 Alpha virt. eigenvalues --    0.38374   0.38482   0.38849   0.39353   0.39570
 Alpha virt. eigenvalues --    0.40204   0.40284   0.40828   0.41461   0.41718
 Alpha virt. eigenvalues --    0.41989   0.42374   0.42614   0.42637   0.42978
 Alpha virt. eigenvalues --    0.43574   0.43841   0.43890   0.44268   0.44330
 Alpha virt. eigenvalues --    0.44975   0.45114   0.46109   0.46425   0.46646
 Alpha virt. eigenvalues --    0.47025   0.47415   0.47633   0.47820   0.48433
 Alpha virt. eigenvalues --    0.48880   0.49193   0.49353   0.49490   0.49739
 Alpha virt. eigenvalues --    0.50472   0.50641   0.51101   0.51488   0.52288
 Alpha virt. eigenvalues --    0.52694   0.53282   0.53822   0.54133   0.54258
 Alpha virt. eigenvalues --    0.54563   0.54915   0.55333   0.56115   0.56287
 Alpha virt. eigenvalues --    0.57185   0.57227   0.57671   0.58007   0.58659
 Alpha virt. eigenvalues --    0.58666   0.59132   0.59624   0.60059   0.60477
 Alpha virt. eigenvalues --    0.60555   0.60804   0.61957   0.62503   0.62797
 Alpha virt. eigenvalues --    0.63470   0.63668   0.64505   0.65141   0.65876
 Alpha virt. eigenvalues --    0.66249   0.66667   0.66969   0.67007   0.67884
 Alpha virt. eigenvalues --    0.68285   0.68719   0.69360   0.69846   0.70230
 Alpha virt. eigenvalues --    0.71348   0.72073   0.72836   0.73314   0.73560
 Alpha virt. eigenvalues --    0.74020   0.74796   0.75405   0.75745   0.76100
 Alpha virt. eigenvalues --    0.76433   0.76975   0.77454   0.78035   0.78423
 Alpha virt. eigenvalues --    0.79204   0.79397   0.80189   0.80986   0.81168
 Alpha virt. eigenvalues --    0.81658   0.82526   0.83132   0.84054   0.84201
 Alpha virt. eigenvalues --    0.85597   0.85769   0.86373   0.86539   0.87730
 Alpha virt. eigenvalues --    0.88368   0.89623   0.90206   0.91335   0.91385
 Alpha virt. eigenvalues --    0.92065   0.93085   0.93662   0.94590   0.96161
 Alpha virt. eigenvalues --    0.96507   0.96818   0.98140   0.99661   1.00367
 Alpha virt. eigenvalues --    1.00700   1.01245   1.02208   1.03163   1.03338
 Alpha virt. eigenvalues --    1.04836   1.05799   1.06133   1.06352   1.07464
 Alpha virt. eigenvalues --    1.08182   1.09203   1.09958   1.10310   1.10530
 Alpha virt. eigenvalues --    1.10780   1.11155   1.11692   1.12517   1.12855
 Alpha virt. eigenvalues --    1.13385   1.14295   1.16577   1.16844   1.19056
 Alpha virt. eigenvalues --    1.19861   1.20471   1.22364   1.22913   1.23545
 Alpha virt. eigenvalues --    1.24384   1.24504   1.26166   1.27193   1.27371
 Alpha virt. eigenvalues --    1.28002   1.29359   1.30358   1.31340   1.32335
 Alpha virt. eigenvalues --    1.33713   1.34076   1.35209   1.36520   1.36875
 Alpha virt. eigenvalues --    1.38550   1.39250   1.40158   1.40358   1.42122
 Alpha virt. eigenvalues --    1.43225   1.44487   1.44839   1.45486   1.47372
 Alpha virt. eigenvalues --    1.47950   1.50210   1.50798   1.51582   1.53397
 Alpha virt. eigenvalues --    1.55034   1.56369   1.57279   1.57388   1.58958
 Alpha virt. eigenvalues --    1.60151   1.60310   1.61844   1.64345   1.64921
 Alpha virt. eigenvalues --    1.67199   1.67490   1.68301   1.69200   1.69929
 Alpha virt. eigenvalues --    1.70873   1.71370   1.73433   1.73852   1.74665
 Alpha virt. eigenvalues --    1.75062   1.76305   1.77449   1.78451   1.78771
 Alpha virt. eigenvalues --    1.79606   1.80395   1.82635   1.83170   1.84474
 Alpha virt. eigenvalues --    1.86193   1.87389   1.88347   1.89918   1.91363
 Alpha virt. eigenvalues --    1.92226   1.93279   1.94320   1.94896   1.95977
 Alpha virt. eigenvalues --    1.96865   1.97400   1.97846   1.99046   2.00219
 Alpha virt. eigenvalues --    2.00833   2.02251   2.03152   2.03524   2.03957
 Alpha virt. eigenvalues --    2.06211   2.07138   2.07727   2.08495   2.10352
 Alpha virt. eigenvalues --    2.11483   2.12004   2.13207   2.14248   2.14778
 Alpha virt. eigenvalues --    2.15777   2.16187   2.16800   2.17752   2.19112
 Alpha virt. eigenvalues --    2.19784   2.20628   2.21559   2.22197   2.24772
 Alpha virt. eigenvalues --    2.26913   2.27727   2.28741   2.29818   2.31819
 Alpha virt. eigenvalues --    2.32603   2.32658   2.36477   2.36672   2.37546
 Alpha virt. eigenvalues --    2.37986   2.38716   2.39409   2.42304   2.42849
 Alpha virt. eigenvalues --    2.44233   2.46414   2.47861   2.49088   2.50010
 Alpha virt. eigenvalues --    2.51149   2.51989   2.52777   2.54263   2.55139
 Alpha virt. eigenvalues --    2.55574   2.59147   2.59681   2.61161   2.63920
 Alpha virt. eigenvalues --    2.64041   2.64866   2.66373   2.67626   2.68227
 Alpha virt. eigenvalues --    2.72702   2.74830   2.75966   2.78154   2.81321
 Alpha virt. eigenvalues --    2.86428   2.88297   2.89562   2.93704   2.95759
 Alpha virt. eigenvalues --    2.96886   2.98879   2.99262   3.00995   3.01870
 Alpha virt. eigenvalues --    3.02916   3.03565   3.04410   3.06341   3.09019
 Alpha virt. eigenvalues --    3.09269   3.11605   3.12420   3.16774   3.17095
 Alpha virt. eigenvalues --    3.18543   3.19887   3.21123   3.22399   3.23818
 Alpha virt. eigenvalues --    3.24409   3.28258   3.29353   3.30242   3.35293
 Alpha virt. eigenvalues --    3.35911   3.39441   3.55703   3.56871   3.65535
 Alpha virt. eigenvalues --    3.68827   3.73246   3.88376   3.93080   4.09018
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   11.245080  -0.545237  -1.246080   0.105630  -0.520500  -0.342850
     2  C   -0.545237  10.708586   0.148838  -0.893237   0.324990  -1.111861
     3  C   -1.246080   0.148838   8.977923  -0.489928  -0.076585  -0.232122
     4  C    0.105630  -0.893237  -0.489928  10.578255  -0.717732   0.452628
     5  C   -0.520500   0.324990  -0.076585  -0.717732   8.757232  -0.377236
     6  C   -0.342850  -1.111861  -0.232122   0.452628  -0.377236   8.596362
     7  C   -1.175923  -0.649647  -0.453183   0.084700   0.072860   0.215314
     8  H   -0.709212   0.095150  -0.174100  -1.286370   0.128175   0.116331
     9  H    0.236929  -0.047059   0.031798  -0.809813   0.090295  -0.741814
    10  H   -0.022630  -0.508883   0.093724   0.017495  -0.674289  -0.042430
    11  C    0.029200   0.166638  -0.547262  -0.418588  -0.650433   0.074462
    12  C    0.000621  -0.008521  -0.024264  -0.011683   0.088496  -0.001288
    13  C   -0.028209   0.004900   0.059543   0.285949   0.012355  -0.003087
    14  H    0.005001   0.014580   0.020125  -0.103505  -0.196768   0.031698
    15  H    0.006672  -0.000136  -0.063181   0.015810   0.002720  -0.000502
    16  H   -0.007111  -0.001168   0.018205  -0.077575   0.010862   0.000086
    17  H   -0.000776  -0.000048   0.027847   0.010802  -0.008471   0.000317
    18  O    0.002034  -0.001713  -0.000615  -0.027882   0.013745  -0.004596
    19  O    0.007971   0.001748  -0.010439  -0.026847  -0.008601   0.009208
    20  H   -0.003641  -0.006426   0.023468  -0.035398  -0.015052   0.001730
    21  C    0.520347  -0.450320   0.050798  -0.028924   0.007191   0.021861
    22  C   -0.645435   0.262306   0.064498   0.016938  -0.000985   0.178788
    23  C   -0.431255  -0.828048   0.035251   0.153757   0.073654  -0.969285
    24  O    0.025044   0.053127  -0.003157  -0.001883  -0.000905  -0.004088
    25  C    0.000859  -0.001424  -0.000287  -0.000092   0.000012   0.000486
    26  H   -0.132561   0.023362  -0.146032   0.012113  -0.007151  -0.017968
    27  H    0.013543   0.141979   0.016997   0.001507  -0.000423  -0.002803
    28  H    0.059891  -0.142018  -0.000619  -0.008401   0.030914  -0.010474
    29  H    0.000359  -0.001956  -0.000007  -0.000003   0.000005  -0.000119
    30  H    0.000694  -0.001927  -0.000059  -0.000005   0.000005  -0.000104
    31  H   -0.001373   0.000020   0.000032  -0.000000  -0.000002   0.000051
               7          8          9         10         11         12
     1  C   -1.175923  -0.709212   0.236929  -0.022630   0.029200   0.000621
     2  C   -0.649647   0.095150  -0.047059  -0.508883   0.166638  -0.008521
     3  C   -0.453183  -0.174100   0.031798   0.093724  -0.547262  -0.024264
     4  C    0.084700  -1.286370  -0.809813   0.017495  -0.418588  -0.011683
     5  C    0.072860   0.128175   0.090295  -0.674289  -0.650433   0.088496
     6  C    0.215314   0.116331  -0.741814  -0.042430   0.074462  -0.001288
     7  C    8.803345  -0.201894  -0.006711  -0.003934   0.014036  -0.003525
     8  H   -0.201894   3.038210   0.019982  -0.011742  -0.068060  -0.053033
     9  H   -0.006711   0.019982   3.302869  -0.651189  -0.488123   0.023990
    10  H   -0.003934  -0.011742  -0.651189   2.531703   0.033163  -0.000464
    11  C    0.014036  -0.068060  -0.488123   0.033163   7.724656   0.271534
    12  C   -0.003525  -0.053033   0.023990  -0.000464   0.271534   4.190948
    13  C   -0.000250  -0.004529   0.054419   0.000304  -0.574063  -0.006964
    14  H    0.000214   0.000476  -0.145670   0.005064   0.394365  -0.085678
    15  H    0.000327  -0.076128   0.003228   0.000021   0.125331   0.303300
    16  H   -0.003076   0.030900   0.002498  -0.000037   0.040270   0.306770
    17  H    0.000264   0.013812  -0.001799   0.000005   0.220977   0.132342
    18  O   -0.000194   0.000350   0.002473  -0.000542   0.024845   0.025599
    19  O    0.000865  -0.006883  -0.015355   0.000882   0.083780  -0.007928
    20  H    0.001495  -0.006399   0.002956  -0.000340  -0.065704   0.003807
    21  C   -0.156816   0.046223   0.000325  -0.008539   0.000353   0.000030
    22  C    0.518691   0.001309  -0.001670   0.035362  -0.000533  -0.000039
    23  C   -0.393339  -0.004230   0.022258  -0.325178  -0.001638  -0.000282
    24  O   -0.008745  -0.000315   0.000025   0.001620   0.000015   0.000001
    25  C    0.024705  -0.000025  -0.000002   0.000041  -0.000002   0.000000
    26  H   -0.373989  -0.182171   0.000099   0.001146   0.002855  -0.000970
    27  H   -0.363966   0.003436   0.000008   0.000051  -0.000055   0.000008
    28  H    0.050677   0.001414  -0.001364  -0.059797  -0.000203  -0.000020
    29  H    0.001547   0.000002  -0.000000  -0.000007  -0.000000   0.000000
    30  H    0.001929  -0.000002  -0.000000  -0.000006  -0.000000   0.000000
    31  H   -0.001900   0.000000  -0.000000   0.000002   0.000000  -0.000000
              13         14         15         16         17         18
     1  C   -0.028209   0.005001   0.006672  -0.007111  -0.000776   0.002034
     2  C    0.004900   0.014580  -0.000136  -0.001168  -0.000048  -0.001713
     3  C    0.059543   0.020125  -0.063181   0.018205   0.027847  -0.000615
     4  C    0.285949  -0.103505   0.015810  -0.077575   0.010802  -0.027882
     5  C    0.012355  -0.196768   0.002720   0.010862  -0.008471   0.013745
     6  C   -0.003087   0.031698  -0.000502   0.000086   0.000317  -0.004596
     7  C   -0.000250   0.000214   0.000327  -0.003076   0.000264  -0.000194
     8  H   -0.004529   0.000476  -0.076128   0.030900   0.013812   0.000350
     9  H    0.054419  -0.145670   0.003228   0.002498  -0.001799   0.002473
    10  H    0.000304   0.005064   0.000021  -0.000037   0.000005  -0.000542
    11  C   -0.574063   0.394365   0.125331   0.040270   0.220977   0.024845
    12  C   -0.006964  -0.085678   0.303300   0.306770   0.132342   0.025599
    13  C    5.805798  -0.038817  -0.036055  -0.009547   0.021193  -0.025997
    14  H   -0.038817   0.867014  -0.015960  -0.028468   0.026205  -0.043967
    15  H   -0.036055  -0.015960   0.744687   0.018602  -0.130349   0.009529
    16  H   -0.009547  -0.028468   0.018602   0.594309  -0.032201   0.010286
    17  H    0.021193   0.026205  -0.130349  -0.032201   0.873708  -0.017774
    18  O   -0.025997  -0.043967   0.009529   0.010286  -0.017774   8.464947
    19  O   -0.193656   0.022587   0.004950  -0.002772  -0.000669   0.068657
    20  H    0.143133  -0.006159   0.000366   0.003479  -0.000156  -0.009813
    21  C    0.000134   0.000017  -0.000024   0.000101  -0.000006  -0.000002
    22  C    0.000321   0.000003  -0.000004   0.000020   0.000001  -0.000015
    23  C   -0.000435  -0.000200  -0.000015  -0.000031  -0.000003   0.000078
    24  O   -0.000012   0.000000   0.000000  -0.000000   0.000000   0.000000
    25  C   -0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
    26  H    0.000492  -0.000008   0.000128  -0.001390   0.000024  -0.000049
    27  H    0.000006  -0.000000  -0.000002   0.000006  -0.000000   0.000000
    28  H   -0.000077  -0.000005  -0.000002  -0.000000   0.000000   0.000004
    29  H   -0.000000  -0.000000  -0.000000   0.000000   0.000000   0.000000
    30  H   -0.000000   0.000000  -0.000000   0.000000   0.000000   0.000000
    31  H    0.000000   0.000000  -0.000000   0.000000  -0.000000  -0.000000
              19         20         21         22         23         24
     1  C    0.007971  -0.003641   0.520347  -0.645435  -0.431255   0.025044
     2  C    0.001748  -0.006426  -0.450320   0.262306  -0.828048   0.053127
     3  C   -0.010439   0.023468   0.050798   0.064498   0.035251  -0.003157
     4  C   -0.026847  -0.035398  -0.028924   0.016938   0.153757  -0.001883
     5  C   -0.008601  -0.015052   0.007191  -0.000985   0.073654  -0.000905
     6  C    0.009208   0.001730   0.021861   0.178788  -0.969285  -0.004088
     7  C    0.000865   0.001495  -0.156816   0.518691  -0.393339  -0.008745
     8  H   -0.006883  -0.006399   0.046223   0.001309  -0.004230  -0.000315
     9  H   -0.015355   0.002956   0.000325  -0.001670   0.022258   0.000025
    10  H    0.000882  -0.000340  -0.008539   0.035362  -0.325178   0.001620
    11  C    0.083780  -0.065704   0.000353  -0.000533  -0.001638   0.000015
    12  C   -0.007928   0.003807   0.000030  -0.000039  -0.000282   0.000001
    13  C   -0.193656   0.143133   0.000134   0.000321  -0.000435  -0.000012
    14  H    0.022587  -0.006159   0.000017   0.000003  -0.000200   0.000000
    15  H    0.004950   0.000366  -0.000024  -0.000004  -0.000015   0.000000
    16  H   -0.002772   0.003479   0.000101   0.000020  -0.000031  -0.000000
    17  H   -0.000669  -0.000156  -0.000006   0.000001  -0.000003   0.000000
    18  O    0.068657  -0.009813  -0.000002  -0.000015   0.000078   0.000000
    19  O    8.300662   0.166640   0.000001  -0.000036  -0.000016   0.000003
    20  H    0.166640   0.510291  -0.000261   0.000043  -0.000019  -0.000008
    21  C    0.000001  -0.000261   7.279477  -0.929856  -0.074633   0.100092
    22  C   -0.000036   0.000043  -0.929856   7.850264  -0.601244  -0.053787
    23  C   -0.000016  -0.000019  -0.074633  -0.601244   9.909911  -0.003596
    24  O    0.000003  -0.000008   0.100092  -0.053787  -0.003596   8.754100
    25  C    0.000000   0.000000  -0.014884   0.105042  -0.004645   0.123679
    26  H   -0.000599   0.000248  -0.473989   0.057829   0.038290   0.013575
    27  H    0.000000  -0.000002  -0.264244  -0.468805   0.054457  -0.219386
    28  H    0.000004   0.000012   0.103810  -0.708646  -0.346241   0.052825
    29  H    0.000000   0.000000   0.007917  -0.007021   0.000906   0.079023
    30  H   -0.000000   0.000000   0.008154  -0.007845   0.000746   0.079759
    31  H   -0.000000  -0.000000   0.057475   0.022124   0.007333  -0.179502
              25         26         27         28         29         30
     1  C    0.000859  -0.132561   0.013543   0.059891   0.000359   0.000694
     2  C   -0.001424   0.023362   0.141979  -0.142018  -0.001956  -0.001927
     3  C   -0.000287  -0.146032   0.016997  -0.000619  -0.000007  -0.000059
     4  C   -0.000092   0.012113   0.001507  -0.008401  -0.000003  -0.000005
     5  C    0.000012  -0.007151  -0.000423   0.030914   0.000005   0.000005
     6  C    0.000486  -0.017968  -0.002803  -0.010474  -0.000119  -0.000104
     7  C    0.024705  -0.373989  -0.363966   0.050677   0.001547   0.001929
     8  H   -0.000025  -0.182171   0.003436   0.001414   0.000002  -0.000002
     9  H   -0.000002   0.000099   0.000008  -0.001364  -0.000000  -0.000000
    10  H    0.000041   0.001146   0.000051  -0.059797  -0.000007  -0.000006
    11  C   -0.000002   0.002855  -0.000055  -0.000203  -0.000000  -0.000000
    12  C    0.000000  -0.000970   0.000008  -0.000020   0.000000   0.000000
    13  C   -0.000000   0.000492   0.000006  -0.000077  -0.000000  -0.000000
    14  H   -0.000000  -0.000008  -0.000000  -0.000005  -0.000000   0.000000
    15  H   -0.000000   0.000128  -0.000002  -0.000002  -0.000000  -0.000000
    16  H    0.000000  -0.001390   0.000006  -0.000000   0.000000   0.000000
    17  H    0.000000   0.000024  -0.000000   0.000000   0.000000   0.000000
    18  O    0.000000  -0.000049   0.000000   0.000004   0.000000   0.000000
    19  O    0.000000  -0.000599   0.000000   0.000004   0.000000  -0.000000
    20  H    0.000000   0.000248  -0.000002   0.000012   0.000000   0.000000
    21  C   -0.014884  -0.473989  -0.264244   0.103810   0.007917   0.008154
    22  C    0.105042   0.057829  -0.468805  -0.708646  -0.007021  -0.007845
    23  C   -0.004645   0.038290   0.054457  -0.346241   0.000906   0.000746
    24  O    0.123679   0.013575  -0.219386   0.052825   0.079023   0.079759
    25  C    4.098527   0.002978  -0.047047  -0.014747   0.239663   0.239140
    26  H    0.002978   2.030042  -0.140220  -0.006809  -0.000451  -0.000363
    27  H   -0.047047  -0.140220   2.224024   0.014314  -0.024636  -0.025470
    28  H   -0.014747  -0.006809   0.014314   1.824780   0.000719   0.000775
    29  H    0.239663  -0.000451  -0.024636   0.000719   0.663431   0.016715
    30  H    0.239140  -0.000363  -0.025470   0.000775   0.016715   0.665412
    31  H    0.440610  -0.000212   0.060705  -0.000614  -0.166143  -0.167039
              31
     1  C   -0.001373
     2  C    0.000020
     3  C    0.000032
     4  C   -0.000000
     5  C   -0.000002
     6  C    0.000051
     7  C   -0.001900
     8  H    0.000000
     9  H   -0.000000
    10  H    0.000002
    11  C    0.000000
    12  C   -0.000000
    13  C    0.000000
    14  H    0.000000
    15  H   -0.000000
    16  H    0.000000
    17  H   -0.000000
    18  O   -0.000000
    19  O   -0.000000
    20  H   -0.000000
    21  C    0.057475
    22  C    0.022124
    23  C    0.007333
    24  O   -0.179502
    25  C    0.440610
    26  H   -0.000212
    27  H    0.060705
    28  H   -0.000614
    29  H   -0.166143
    30  H   -0.167039
    31  H    1.470503
 Mulliken charges:
               1
     1  C   -0.447084
     2  C   -0.746592
     3  C   -0.101124
     4  C   -0.797716
     5  C   -0.358379
     6  C    0.163307
     7  C    0.006121
     8  H    0.289324
     9  H    0.116412
    10  H    0.589423
    11  C   -0.391816
    12  C    0.857213
    13  C    0.533151
    14  H    0.277856
    15  H    0.086686
    16  H    0.126983
    17  H   -0.135244
    18  O   -0.489390
    19  O   -0.394156
    20  H    0.291710
    21  C    0.198191
    22  C    0.312381
    23  C   -0.312310
    24  O   -0.807504
    25  C    0.807414
    26  H    0.301749
    27  H    0.026018
    28  H    0.159897
    29  H    0.190057
    30  H    0.189491
    31  H   -0.542069
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.447084
     2  C   -0.746592
     3  C    0.188199
     4  C   -0.797716
     5  C   -0.241966
     6  C    0.752730
     7  C    0.307870
    11  C   -0.113960
    12  C    0.935639
    13  C    0.533151
    18  O   -0.489390
    19  O   -0.102447
    21  C    0.224209
    22  C    0.312381
    23  C   -0.152413
    24  O   -0.807504
    25  C    0.644893
 Electronic spatial extent (au):  <R**2>=           5530.5952
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.8874    Y=             -2.1427    Z=             -1.8147  Tot=              6.5228
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -113.0460   YY=            -91.2066   ZZ=           -105.3661
   XY=              1.8616   XZ=            -13.6399   YZ=             -2.2667
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.8398   YY=             11.9997   ZZ=             -2.1599
   XY=              1.8616   XZ=            -13.6399   YZ=             -2.2667
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -267.4256  YYY=              5.2520  ZZZ=              4.5358  XYY=              1.5093
  XXY=            -55.3051  XXZ=            -37.9548  XZZ=             -6.5255  YZZ=             -1.7008
  YYZ=              0.1215  XYZ=             -0.2758
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6345.8959 YYYY=           -714.3932 ZZZZ=           -421.2908 XXXY=             38.1005
 XXXZ=           -296.1692 YYYX=              1.5594 YYYZ=            -12.5114 ZZZX=            -16.4725
 ZZZY=              4.3478 XXYY=          -1104.9672 XXZZ=          -1135.8140 YYZZ=           -204.2833
 XXYZ=            -25.2474 YYXZ=              1.5270 ZZXY=             -2.8207
 N-N= 1.134183659722D+03 E-N=-4.050481361537D+03  KE= 7.586658410139D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 13:12:54 2021, MaxMem=  6442450944 cpu:               4.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30105515D+00-7.98510625D-01-6.74119362D-01
 Polarizability= 2.81298851D+02 1.06827401D+01 1.60190490D+02
                -1.41450210D+01-4.67206677D+00 1.10313295D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        7.7881    7.7871        6.7519    6.7434
 2     -7.7881   -7.7871        2.6821    2.6815      -65.5822  -65.5751
 3     -6.7519   -6.7434       92.7026   92.6929       -2.6816   -2.6815
 4     -2.6821   -2.6815       -0.0000    0.0000       -6.7485   -6.7434
 5    -27.1204  -27.1179        6.7485    6.7434        7.7883    7.7871
 6      2.6816    2.6815       -7.7883   -7.7871        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -23.3614  -23.3614       20.2303   20.2303
 2     -8.0445   -8.0445        0.0000    0.0000       20.2303   20.2303
 3     -8.0445   -8.0445      -23.3614  -23.3614       -0.0000    0.0000
 4    -23.3614  -23.3614        8.0445    8.0445     -196.7253 -196.7253
 5    -20.2303  -20.2303      278.0788  278.0788       -8.0445   -8.0445
 6    -81.3536  -81.3536       20.2303   20.2303       23.3614   23.3614
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.2726    0.0000      -30.7497  -31.1485      -27.5259  -26.9737
 2     31.7188   31.1485      -11.1632  -10.7260      262.0661  262.3003
 3     27.0256   26.9737     -372.2719 -370.7718       10.7830   10.7260
 4     10.2590   10.7260       -0.1959    0.0000       26.7810   26.9737
 5    108.3139  108.4714      -27.1107  -26.9737      -31.2278  -31.1485
 6    -10.4060  -10.7260       30.7836   31.1485       -0.0087    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4494    0.0000       52.7767   53.4345      -48.1427  -48.2315
 2    -52.7818  -53.4345       65.9283   66.7671      -12.7386  -13.0419
 3     48.6770   48.2315      -60.3420  -59.2309      -68.1936  -66.7671
 4    -66.7778  -66.7671       -0.1614    0.0000       47.9875   48.2315
 5     72.2555   72.2728      -49.1398  -48.2315       53.8334   53.4345
 6     67.0339   66.7671      -53.1204  -53.4345        0.3743    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.8039  -18.6757       18.1135   17.1839       88.4941   88.2881
 2   -150.1995 -149.9021       59.5823   59.1721       88.1593   88.2881
 3   -150.1044 -149.9021       17.8071   17.1839      129.7007  129.9133
 4    -41.6388  -41.9882      133.0249  131.2264      -45.9120  -46.0397
 5     41.4284   41.6252      -70.9868  -70.2448     -130.6947 -131.2264
 6    115.4365  116.2845      -42.3323  -41.6252       42.0106   41.9882
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.1378   -0.0008   -0.0003    0.0002    0.7352    3.6300
 Low frequencies ---   23.0411   39.2424   46.1715
 Diagonal vibrational polarizability:
       38.1128795     165.5821799      49.1479423
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.0249                39.2329                46.1706
 Red. masses --      4.7650                 6.3482                 5.7964
 Frc consts  --      0.0015                 0.0058                 0.0073
 IR Inten    --      2.5808                 2.3412                 0.9175
 RamAct Fr= 1--      4.1693                 0.9891                 2.3747
  Dep-P Fr= 1--      0.7497                 0.7203                 0.7494
  Dep-U Fr= 1--      0.8569                 0.8374                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.5955                 0.1380                 0.3391
 AlphaG Fr= 1--     -0.0002                -0.0092                 0.0014
 Gamma2 Fr= 1--     -3.5589                 1.9370                -1.0298
 Delta2 Fr= 1--     -2.0633                 0.8555                 0.0697
 Raman1 Fr= 1--      16.677                  3.956                  9.499
 ROA1   Fr= 1--    -407.677                213.327                -96.628
 CID1   Fr= 1--     -24.445                 53.921                -10.173
 Raman2 Fr= 1--       7.146                  1.657                  4.069
 ROA2   Fr= 1--     -68.907                 39.644                -25.272
 CID2   Fr= 1--      -9.643                 23.932                 -6.211
 Raman3 Fr= 1--      14.291                  3.313                  8.138
 ROA3   Fr= 1--    -407.677                213.327                -96.628
 CID3   Fr= 1--     -28.526                 64.390                -11.873
 RC180  Fr= 1--       0.714                  0.675                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.03     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     2   6     0.01  -0.02   0.08     0.02  -0.01  -0.09     0.01  -0.01  -0.04
     3   6    -0.03  -0.06  -0.05     0.01  -0.02  -0.12    -0.00  -0.03  -0.14
     4   6    -0.01  -0.07   0.03     0.02  -0.02  -0.09     0.01  -0.02  -0.05
     5   6     0.03  -0.05   0.14     0.03  -0.02  -0.09     0.02  -0.01   0.01
     6   6     0.04  -0.02   0.17     0.03  -0.02  -0.10     0.02  -0.01   0.02
     7   6    -0.05  -0.03  -0.13     0.01  -0.01  -0.10    -0.01  -0.03  -0.20
     8   1    -0.06  -0.08  -0.13     0.00  -0.03  -0.13    -0.01  -0.03  -0.19
     9   1     0.05  -0.06   0.20     0.03  -0.03  -0.07     0.02  -0.00   0.07
    10   1     0.06  -0.01   0.25     0.03  -0.01  -0.09     0.03  -0.00   0.09
    11   6    -0.01  -0.09  -0.01     0.02  -0.01   0.00     0.01  -0.02   0.02
    12   6    -0.03  -0.15   0.18     0.07  -0.03   0.08     0.04  -0.02   0.06
    13   6     0.04   0.09  -0.07    -0.09   0.03   0.06    -0.04   0.02   0.04
    14   1    -0.04  -0.18  -0.12     0.07  -0.03   0.02     0.04  -0.03   0.02
    15   1    -0.07  -0.29   0.22     0.13  -0.07   0.06     0.10  -0.04   0.03
    16   1    -0.00  -0.05   0.30     0.03  -0.01   0.09     0.01  -0.01   0.05
    17   1    -0.04  -0.17   0.14     0.08  -0.02   0.15     0.05  -0.02   0.12
    18   8     0.01   0.23  -0.15    -0.15   0.29   0.15     0.01  -0.21   0.09
    19   8     0.11   0.08  -0.03    -0.12  -0.27   0.01    -0.14   0.34   0.01
    20   1     0.11  -0.03   0.03    -0.08  -0.40  -0.06    -0.15   0.43  -0.04
    21   6    -0.05  -0.01  -0.11     0.02   0.01  -0.04    -0.00  -0.02  -0.13
    22   6    -0.01   0.01  -0.00     0.03   0.02   0.01     0.01  -0.01   0.00
    23   6     0.02   0.01   0.10     0.03   0.00  -0.03     0.02  -0.01   0.03
    24   8    -0.00   0.04   0.02     0.04   0.03   0.09     0.03   0.00   0.11
    25   6    -0.03   0.04  -0.09     0.06   0.06   0.25     0.04   0.01   0.20
    26   1    -0.08  -0.05  -0.21    -0.00  -0.01  -0.13    -0.02  -0.04  -0.29
    27   1    -0.07  -0.00  -0.19     0.01   0.02  -0.02    -0.01  -0.03  -0.17
    28   1     0.04   0.02   0.18     0.04   0.01  -0.00     0.03   0.00   0.12
    29   1    -0.06  -0.05  -0.14     0.17   0.09   0.24     0.15  -0.02   0.16
    30   1    -0.04   0.12  -0.16    -0.06   0.03   0.28    -0.08   0.04   0.19
    31   1    -0.02   0.06  -0.06     0.07   0.08   0.35     0.06   0.02   0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --     75.0206               126.3846               135.3375
 Red. masses --      3.8525                 4.8461                 4.1046
 Frc consts  --      0.0128                 0.0456                 0.0443
 IR Inten    --      4.7790                 0.0247                 0.3415
 RamAct Fr= 1--      0.7325                 0.8910                 1.5979
  Dep-P Fr= 1--      0.7193                 0.7498                 0.3567
  Dep-U Fr= 1--      0.8368                 0.8570                 0.5259
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0137
 Beta2  Fr= 1--      0.1022                 0.1273                 0.1400
 AlphaG Fr= 1--      0.0077                -0.0005                -0.0265
 Gamma2 Fr= 1--      0.1708                 1.3562                -1.3255
 Delta2 Fr= 1--     -0.1300                 0.6119                -0.6017
 Raman1 Fr= 1--       2.930                  3.564                  6.392
 ROA1   Fr= 1--      12.241                149.778               -146.504
 CID1   Fr= 1--       4.178                 42.027                -22.921
 Raman2 Fr= 1--       1.226                  1.527                  1.681
 ROA2   Fr= 1--       5.140                 27.654                -26.998
 CID2   Fr= 1--       4.193                 18.108                -16.064
 Raman3 Fr= 1--       2.452                  3.054                  3.361
 ROA3   Fr= 1--      12.241                149.778               -146.504
 CID3   Fr= 1--       4.993                 49.038                -43.587
 RC180  Fr= 1--       0.674                  0.714                  0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.02   0.07  -0.09    -0.03  -0.10  -0.03
     2   6    -0.03   0.00  -0.03    -0.05   0.06  -0.13    -0.03  -0.09  -0.07
     3   6    -0.01   0.02   0.06    -0.01   0.09   0.01    -0.01  -0.09   0.05
     4   6    -0.01   0.02   0.09    -0.00   0.09   0.05    -0.01  -0.07   0.08
     5   6    -0.01   0.02   0.10    -0.03   0.07  -0.06    -0.03  -0.08  -0.01
     6   6    -0.02   0.01   0.03    -0.05   0.06  -0.16    -0.04  -0.09  -0.09
     7   6    -0.02   0.00  -0.04     0.01   0.04  -0.11    -0.08  -0.06  -0.05
     8   1    -0.01   0.02   0.06    -0.02   0.10   0.06     0.01  -0.08   0.09
     9   1    -0.01   0.03   0.14    -0.04   0.08  -0.08    -0.04  -0.08  -0.01
    10   1    -0.02   0.01   0.03    -0.05   0.05  -0.24    -0.05  -0.10  -0.14
    11   6    -0.01   0.02   0.04    -0.01   0.01   0.07     0.02   0.05   0.06
    12   6    -0.04   0.02   0.00    -0.14  -0.06   0.16     0.15   0.15  -0.12
    13   6     0.07  -0.01   0.00     0.07  -0.03   0.03     0.06   0.03   0.05
    14   1    -0.04   0.02   0.03     0.03  -0.07   0.03    -0.07   0.16   0.12
    15   1    -0.10   0.04   0.03    -0.22  -0.11   0.22     0.21   0.25  -0.17
    16   1    -0.01   0.01   0.01    -0.13   0.03   0.26     0.18   0.02  -0.24
    17   1    -0.05   0.01  -0.05    -0.15  -0.14   0.09     0.16   0.26  -0.08
    18   8     0.07  -0.01  -0.06     0.08  -0.07  -0.04     0.06   0.04  -0.01
    19   8     0.14  -0.04   0.04     0.15  -0.08   0.08     0.12   0.03   0.08
    20   1     0.12  -0.03   0.09     0.13  -0.03   0.13     0.11   0.00   0.12
    21   6    -0.03  -0.01  -0.10     0.01   0.01  -0.06    -0.08  -0.02  -0.04
    22   6    -0.04  -0.02  -0.13    -0.01   0.00   0.02    -0.04  -0.01   0.01
    23   6    -0.04  -0.01  -0.11    -0.06   0.03  -0.08    -0.01  -0.05  -0.06
    24   8    -0.05  -0.03  -0.20    -0.01  -0.04   0.23     0.00   0.09   0.14
    25   6     0.01   0.02   0.27     0.02  -0.13  -0.03    -0.10   0.16  -0.03
    26   1    -0.02   0.00  -0.02     0.04   0.05  -0.13    -0.12  -0.08  -0.05
    27   1    -0.03  -0.02  -0.13     0.04  -0.01  -0.05    -0.10  -0.00  -0.03
    28   1    -0.04  -0.01  -0.13    -0.09   0.02  -0.06     0.03  -0.04  -0.06
    29   1     0.24   0.26   0.36     0.02  -0.38  -0.17    -0.16  -0.02  -0.11
    30   1    -0.18  -0.19   0.46     0.05   0.09  -0.22    -0.17   0.30  -0.15
    31   1     0.02   0.03   0.35     0.00  -0.18   0.10    -0.04   0.25   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.6031               216.1434               224.7308
 Red. masses --      3.2054                 2.6259                 2.9879
 Frc consts  --      0.0630                 0.0723                 0.0889
 IR Inten    --      1.0684                 1.2850                 3.6357
 RamAct Fr= 1--      0.0568                 3.1433                 0.5572
  Dep-P Fr= 1--      0.7420                 0.4472                 0.7495
  Dep-U Fr= 1--      0.8519                 0.6180                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0195                 0.0000
 Beta2  Fr= 1--      0.0081                 0.3238                 0.0796
 AlphaG Fr= 1--     -0.0003                -0.0441                -0.0005
 Gamma2 Fr= 1--      0.1737                -1.2867                -0.4144
 Delta2 Fr= 1--     -0.0432                -0.3195                -0.1659
 Raman1 Fr= 1--       0.227                 12.573                  2.229
 ROA1   Fr= 1--      15.298               -133.745                -45.094
 CID1   Fr= 1--      67.326                -10.637                -20.231
 Raman2 Fr= 1--       0.097                  3.885                  0.955
 ROA2   Fr= 1--       4.515                -28.325                 -8.618
 CID2   Fr= 1--      46.654                 -7.291                 -9.026
 Raman3 Fr= 1--       0.194                  7.770                  1.910
 ROA3   Fr= 1--      15.298               -133.745                -45.094
 CID3   Fr= 1--      79.032                -17.213                -23.613
 RC180  Fr= 1--       0.704                  0.236                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.15    -0.02   0.00  -0.05     0.05  -0.05   0.00
     2   6    -0.02  -0.02  -0.13    -0.03   0.01   0.05     0.02  -0.06   0.00
     3   6    -0.02  -0.02  -0.19    -0.01   0.01  -0.10     0.06   0.04  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.00   0.10  -0.01
     5   6     0.02   0.02   0.20    -0.04   0.01  -0.11    -0.04   0.08   0.00
     6   6     0.00   0.01   0.06    -0.04   0.00  -0.04    -0.05   0.00   0.01
     7   6     0.00   0.01   0.05    -0.02   0.00  -0.04     0.07  -0.08   0.00
     8   1    -0.04  -0.03  -0.29    -0.01   0.01  -0.11     0.13   0.06  -0.02
     9   1     0.04   0.05   0.42    -0.06   0.01  -0.18    -0.07   0.12   0.00
    10   1     0.01   0.02   0.17    -0.04  -0.00  -0.04    -0.13  -0.02   0.02
    11   6     0.00   0.00   0.01     0.02   0.05   0.01    -0.01   0.08  -0.02
    12   6     0.01   0.00   0.01     0.12   0.03   0.12    -0.12   0.02   0.08
    13   6     0.01   0.00   0.00     0.04   0.01   0.01    -0.01   0.02  -0.02
    14   1     0.00   0.00   0.01     0.04   0.03   0.00     0.02   0.03  -0.06
    15   1     0.02  -0.01   0.01     0.22  -0.07   0.10    -0.39  -0.14   0.25
    16   1     0.01   0.01   0.02     0.10   0.07   0.16     0.09   0.13   0.29
    17   1     0.01   0.01   0.02     0.14   0.08   0.23    -0.15   0.00  -0.20
    18   8     0.01  -0.01  -0.00     0.06  -0.06  -0.01     0.01  -0.04   0.01
    19   8     0.02   0.00   0.01     0.07  -0.05   0.02    -0.03  -0.03  -0.04
    20   1     0.02  -0.00   0.01     0.06   0.00   0.03    -0.03   0.03  -0.07
    21   6     0.02   0.02   0.21    -0.02  -0.00   0.03     0.05  -0.11   0.00
    22   6    -0.00   0.00   0.02    -0.03  -0.00   0.07     0.04  -0.11   0.00
    23   6    -0.03  -0.02  -0.16    -0.02   0.01   0.16     0.03  -0.11  -0.00
    24   8    -0.00   0.00   0.03    -0.05  -0.01  -0.07     0.08   0.01  -0.01
    25   6    -0.01   0.00  -0.02    -0.07   0.02   0.01    -0.09   0.20  -0.01
    26   1     0.01   0.02   0.15    -0.03  -0.00  -0.09     0.09  -0.07   0.00
    27   1     0.05   0.05   0.45    -0.02  -0.01   0.03     0.04  -0.12   0.00
    28   1    -0.03  -0.03  -0.24    -0.02   0.01   0.21    -0.00  -0.12   0.00
    29   1    -0.18   0.16   0.10    -0.27   0.34   0.23    -0.19   0.16  -0.01
    30   1     0.18  -0.13   0.09     0.16  -0.26   0.24    -0.23   0.21  -0.01
    31   1    -0.04  -0.02  -0.29    -0.10  -0.00  -0.41     0.01   0.38  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    241.8139               260.2717               278.4455
 Red. masses --      1.6769                 1.2135                 2.2803
 Frc consts  --      0.0578                 0.0484                 0.1042
 IR Inten    --      0.7691                 1.0767                 2.7400
 RamAct Fr= 1--      1.9850                 0.4453                 1.2878
  Dep-P Fr= 1--      0.4102                 0.6167                 0.7435
  Dep-U Fr= 1--      0.5818                 0.7629                 0.8529
 Alpha2 Fr= 1--      0.0142                 0.0011                 0.0001
 Beta2  Fr= 1--      0.1925                 0.0566                 0.1831
 AlphaG Fr= 1--     -0.0429                 0.0061                 0.0047
 Gamma2 Fr= 1--      0.6568                -0.1585                 1.6974
 Delta2 Fr= 1--      0.0460                 0.0704                 0.4136
 Raman1 Fr= 1--       7.940                  1.781                  5.151
 ROA1   Fr= 1--      64.526                -12.965                176.186
 CID1   Fr= 1--       8.127                 -7.278                 34.202
 Raman2 Fr= 1--       2.310                  0.680                  2.197
 ROA2   Fr= 1--      15.395                 -4.368                 37.429
 CID2   Fr= 1--       6.666                 -6.428                 17.038
 Raman3 Fr= 1--       4.619                  1.359                  4.394
 ROA3   Fr= 1--      64.526                -12.965                176.186
 CID3   Fr= 1--      13.969                 -9.540                 40.101
 RC180  Fr= 1--       0.164                  0.526                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01  -0.00   0.01     0.01   0.02   0.08
     2   6    -0.02   0.01   0.01    -0.00   0.00  -0.01    -0.01   0.01  -0.01
     3   6    -0.00   0.01  -0.03    -0.00  -0.02   0.04     0.02   0.03   0.13
     4   6     0.00   0.00  -0.04    -0.00  -0.02   0.02     0.01   0.02   0.02
     5   6    -0.01   0.01   0.02     0.00  -0.02   0.01     0.00   0.02   0.05
     6   6    -0.01   0.01   0.04     0.01  -0.01   0.00     0.00   0.01   0.05
     7   6    -0.01   0.02   0.06    -0.02   0.01  -0.01     0.01   0.00  -0.01
     8   1    -0.01   0.00  -0.04     0.00  -0.02   0.06     0.03   0.03   0.18
     9   1    -0.01   0.02   0.04     0.01  -0.03   0.01    -0.00   0.03   0.06
    10   1     0.00   0.01   0.07     0.02  -0.01  -0.01     0.00   0.02   0.06
    11   6     0.02   0.03  -0.04    -0.00   0.01  -0.01     0.01   0.01  -0.05
    12   6     0.14   0.01   0.09     0.05   0.02   0.00     0.08  -0.01   0.06
    13   6     0.01   0.01  -0.03    -0.01   0.01  -0.01    -0.01   0.01  -0.06
    14   1     0.01   0.01  -0.06    -0.04   0.03  -0.02    -0.01  -0.01  -0.08
    15   1     0.18  -0.14   0.10    -0.35  -0.21   0.26     0.39  -0.00  -0.10
    16   1     0.19   0.06   0.17     0.54   0.05   0.26    -0.19   0.01  -0.03
    17   1     0.15   0.11   0.13     0.01   0.22  -0.49     0.12  -0.05   0.43
    18   8     0.02  -0.05  -0.01    -0.00  -0.01   0.01    -0.00  -0.03  -0.02
    19   8    -0.01  -0.04  -0.06    -0.03  -0.01  -0.03    -0.06  -0.03  -0.10
    20   1    -0.01   0.00  -0.08    -0.03   0.01  -0.05    -0.05   0.01  -0.15
    21   6    -0.01   0.01   0.03    -0.02   0.03  -0.03    -0.01  -0.02  -0.10
    22   6    -0.03   0.00  -0.02    -0.01   0.03  -0.01    -0.01  -0.02  -0.06
    23   6    -0.03   0.00  -0.03    -0.00   0.02  -0.02    -0.02  -0.02  -0.12
    24   8    -0.04  -0.01  -0.02    -0.01   0.01   0.03     0.01   0.00   0.11
    25   6    -0.03  -0.01   0.00     0.03  -0.04   0.00    -0.03   0.01   0.01
    26   1    -0.01   0.02   0.09    -0.04   0.00  -0.02     0.02   0.01  -0.01
    27   1    -0.01   0.01   0.02    -0.02   0.03  -0.03    -0.00  -0.03  -0.12
    28   1    -0.03   0.00  -0.06     0.02   0.03  -0.03    -0.04  -0.02  -0.14
    29   1     0.24  -0.33  -0.23    -0.03   0.06   0.07    -0.28   0.21   0.17
    30   1    -0.36   0.26  -0.23     0.18  -0.11   0.06     0.23  -0.15   0.15
    31   1     0.03   0.04   0.50    -0.01  -0.10  -0.15    -0.06  -0.00  -0.37
                     13                     14                     15
                      A                      A                      A
 Frequencies --    310.4011               346.1441               390.2970
 Red. masses --      4.8215                 4.1969                 5.1554
 Frc consts  --      0.2737                 0.2963                 0.4627
 IR Inten    --      4.9110                 5.1688                 2.0464
 RamAct Fr= 1--     16.0958                 2.1650                 0.9860
  Dep-P Fr= 1--      0.1719                 0.7490                 0.5339
  Dep-U Fr= 1--      0.2933                 0.8565                 0.6962
 Alpha2 Fr= 1--      0.2353                 0.0000                 0.0041
 Beta2  Fr= 1--      0.7870                 0.3090                 0.1144
 AlphaG Fr= 1--      0.1380                 0.0024                 0.0417
 Gamma2 Fr= 1--      2.4805                -2.8258                -0.2684
 Delta2 Fr= 1--      0.6335                -0.8011                -0.0959
 Raman1 Fr= 1--      64.383                  8.660                  3.944
 ROA1   Fr= 1--     258.403               -296.907                -28.833
 CID1   Fr= 1--       4.014                -34.285                 -7.311
 Raman2 Fr= 1--       9.443                  3.709                  1.373
 ROA2   Fr= 1--      54.466                -61.410                 -5.674
 CID2   Fr= 1--       5.768                -16.559                 -4.133
 Raman3 Fr= 1--      18.887                  7.417                  2.746
 ROA3   Fr= 1--     258.403               -296.907                -28.833
 CID3   Fr= 1--      13.682                -40.030                -10.502
 RC180  Fr= 1--      -0.413                  0.713                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.00    -0.01  -0.12  -0.01    -0.03   0.05  -0.09
     2   6     0.03  -0.07   0.00    -0.01  -0.12   0.00    -0.01   0.05  -0.13
     3   6    -0.04  -0.06   0.00     0.04  -0.05  -0.00    -0.03   0.00   0.12
     4   6    -0.11   0.01   0.02     0.03   0.01   0.03    -0.00  -0.02   0.27
     5   6    -0.07   0.01   0.01    -0.04  -0.02   0.02     0.04  -0.01   0.20
     6   6    -0.05  -0.02   0.00    -0.05  -0.10  -0.02     0.01   0.02  -0.25
     7   6    -0.02  -0.07   0.01    -0.10  -0.05   0.00     0.02   0.01  -0.11
     8   1     0.03  -0.04  -0.01     0.07  -0.04  -0.02    -0.08  -0.01   0.10
     9   1    -0.05  -0.01   0.00    -0.08   0.02   0.03     0.10  -0.04   0.30
    10   1    -0.12  -0.04   0.01    -0.12  -0.12  -0.04     0.03   0.01  -0.46
    11   6    -0.15   0.10   0.03     0.08   0.11  -0.04    -0.03  -0.02   0.03
    12   6     0.00   0.14   0.13    -0.14   0.05   0.04     0.05   0.01   0.02
    13   6    -0.14   0.03  -0.02     0.13   0.07  -0.04    -0.00  -0.00  -0.07
    14   1    -0.17   0.13   0.05     0.02   0.07  -0.13    -0.16  -0.00  -0.04
    15   1     0.20   0.06   0.05    -0.10   0.11   0.00     0.16   0.01  -0.04
    16   1    -0.07   0.14   0.10    -0.41   0.16   0.04     0.03  -0.03  -0.03
    17   1     0.03   0.22   0.34    -0.15  -0.24   0.16     0.07   0.09   0.12
    18   8    -0.11  -0.09  -0.19     0.14   0.01   0.17    -0.00  -0.00  -0.04
    19   8     0.01  -0.05   0.07    -0.03  -0.03  -0.17    -0.10  -0.02  -0.14
    20   1    -0.03   0.03   0.17    -0.00   0.04  -0.32    -0.08  -0.00  -0.24
    21   6     0.00   0.01   0.01    -0.08   0.07   0.02     0.04  -0.03   0.08
    22   6     0.10   0.04  -0.01    -0.04   0.09   0.02     0.05  -0.02   0.15
    23   6     0.09   0.00  -0.00     0.03   0.01   0.03     0.02   0.03   0.18
    24   8     0.13   0.09  -0.03    -0.04   0.09  -0.02     0.03  -0.06  -0.10
    25   6     0.26  -0.01  -0.03     0.10  -0.06  -0.01    -0.02   0.02  -0.01
    26   1    -0.06  -0.08   0.01    -0.22  -0.08   0.02     0.08   0.02  -0.18
    27   1    -0.04   0.06   0.01    -0.10   0.10   0.02     0.05  -0.04   0.05
    28   1     0.13   0.01  -0.01     0.14   0.05   0.02    -0.04   0.01   0.25
    29   1     0.36  -0.01  -0.05     0.24  -0.06  -0.03     0.01  -0.00  -0.04
    30   1     0.34   0.00  -0.05     0.20  -0.04  -0.03    -0.16   0.03  -0.02
    31   1     0.19  -0.14   0.01     0.02  -0.22   0.05     0.03   0.10   0.08
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.1449               440.1516               456.1227
 Red. masses --      3.3249                 4.9822                 4.4401
 Frc consts  --      0.3409                 0.5687                 0.5443
 IR Inten    --      0.2164                 2.1830                 5.2406
 RamAct Fr= 1--      2.1291                 0.6237                 1.0796
  Dep-P Fr= 1--      0.7455                 0.5173                 0.7384
  Dep-U Fr= 1--      0.8542                 0.6818                 0.8495
 Alpha2 Fr= 1--      0.0002                 0.0028                 0.0002
 Beta2  Fr= 1--      0.3031                 0.0709                 0.1529
 AlphaG Fr= 1--      0.0012                 0.0103                 0.0047
 Gamma2 Fr= 1--     -0.6082                -0.1678                -0.7517
 Delta2 Fr= 1--      0.0819                -0.0666                -0.0702
 Raman1 Fr= 1--       8.517                  2.495                  4.318
 ROA1   Fr= 1--     -55.768                -18.244                -74.407
 CID1   Fr= 1--      -6.548                 -7.313                -17.231
 Raman2 Fr= 1--       3.637                  0.851                  1.834
 ROA2   Fr= 1--     -15.253                 -3.495                -17.478
 CID2   Fr= 1--      -4.193                 -4.109                 -9.529
 Raman3 Fr= 1--       7.275                  1.701                  3.669
 ROA3   Fr= 1--     -55.768                -18.244                -74.407
 CID3   Fr= 1--      -7.666                -10.725                -20.282
 RC180  Fr= 1--       0.708                  0.364                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.09    -0.12   0.05   0.01     0.08  -0.12   0.00
     2   6    -0.00  -0.01  -0.03    -0.12   0.05   0.02     0.02  -0.15  -0.03
     3   6    -0.02  -0.01  -0.17    -0.12   0.10   0.00     0.16   0.11   0.04
     4   6     0.00   0.01   0.00    -0.06   0.05  -0.00     0.08   0.18  -0.00
     5   6     0.01   0.02   0.13    -0.13   0.08  -0.00    -0.00   0.19   0.06
     6   6    -0.02  -0.02  -0.16    -0.15   0.06   0.02    -0.08  -0.06  -0.04
     7   6     0.03   0.02   0.24    -0.03  -0.04   0.01    -0.03  -0.05  -0.04
     8   1    -0.04  -0.03  -0.40    -0.12   0.10   0.00     0.34   0.17   0.03
     9   1     0.02   0.04   0.26    -0.18   0.11  -0.02    -0.12   0.31   0.13
    10   1    -0.05  -0.04  -0.32    -0.18   0.06   0.03    -0.27  -0.12  -0.04
    11   6     0.00  -0.00  -0.00     0.01  -0.14  -0.02     0.04  -0.09  -0.01
    12   6     0.00  -0.00  -0.00     0.12  -0.16  -0.08     0.09  -0.13  -0.05
    13   6    -0.00  -0.00   0.00     0.09  -0.05   0.00    -0.06  -0.09   0.01
    14   1     0.02  -0.01   0.00     0.01  -0.16  -0.04     0.20  -0.13   0.05
    15   1     0.00  -0.01  -0.00     0.16  -0.18  -0.09     0.13  -0.14  -0.07
    16   1     0.01  -0.00   0.00     0.24  -0.24  -0.11     0.17  -0.20  -0.08
    17   1     0.00   0.00  -0.01     0.13   0.01  -0.10     0.10  -0.02  -0.04
    18   8    -0.00  -0.00  -0.00     0.07   0.05   0.12    -0.08   0.01  -0.09
    19   8     0.01   0.01   0.01     0.04   0.03  -0.03    -0.02   0.03   0.06
    20   1     0.01  -0.04   0.02     0.06  -0.06  -0.07    -0.01  -0.10   0.12
    21   6    -0.03  -0.02  -0.20    -0.05  -0.13   0.02    -0.02   0.08   0.02
    22   6    -0.01  -0.01  -0.10     0.04  -0.10   0.00    -0.07   0.08   0.06
    23   6     0.01   0.01   0.10    -0.08  -0.04   0.01     0.03  -0.04   0.03
    24   8     0.00   0.01   0.05     0.13   0.09  -0.02    -0.11   0.08  -0.02
    25   6     0.00   0.00   0.01     0.23   0.08  -0.04    -0.02  -0.04   0.00
    26   1     0.05   0.05   0.46     0.08  -0.01  -0.01    -0.18  -0.09  -0.07
    27   1    -0.04  -0.03  -0.33    -0.04  -0.14   0.02    -0.03   0.07  -0.02
    28   1     0.04   0.03   0.30    -0.22  -0.09   0.02     0.19   0.01  -0.01
    29   1    -0.05   0.04   0.04     0.29   0.07  -0.05     0.08  -0.03  -0.01
    30   1     0.08  -0.03   0.03     0.29   0.08  -0.04     0.05  -0.03  -0.01
    31   1    -0.01  -0.02  -0.09     0.17  -0.02  -0.02    -0.08  -0.16   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.7510               535.7155               566.0997
 Red. masses --      2.5631                 6.4751                 3.5671
 Frc consts  --      0.3549                 1.0949                 0.6735
 IR Inten    --     14.3492                 0.4344                 9.1614
 RamAct Fr= 1--      0.1204                17.3349                 3.6847
  Dep-P Fr= 1--      0.4279                 0.3785                 0.5408
  Dep-U Fr= 1--      0.5993                 0.5491                 0.7020
 Alpha2 Fr= 1--      0.0008                 0.1384                 0.0148
 Beta2  Fr= 1--      0.0120                 1.5864                 0.4311
 AlphaG Fr= 1--      0.0035                 0.0808                 0.0704
 Gamma2 Fr= 1--     -0.2220                -0.3563                 0.6371
 Delta2 Fr= 1--      0.0182                -0.3780                 0.7820
 Raman1 Fr= 1--       0.481                 69.340                 14.739
 ROA1   Fr= 1--     -20.725                -46.303                 86.189
 CID1   Fr= 1--     -43.044                 -0.668                  5.848
 Raman2 Fr= 1--       0.144                 19.037                  5.173
 ROA2   Fr= 1--      -5.473                 -5.527                  9.035
 CID2   Fr= 1--     -37.931                 -0.290                  1.747
 Raman3 Fr= 1--       0.289                 38.075                 10.346
 ROA3   Fr= 1--     -20.725                -46.303                 86.189
 CID3   Fr= 1--     -71.818                 -1.216                  8.331
 RC180  Fr= 1--       0.199                  0.098                  0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.21    -0.12  -0.02   0.02     0.06   0.08   0.07
     2   6     0.02   0.02   0.19     0.14   0.05  -0.01    -0.06   0.02  -0.12
     3   6    -0.01  -0.02  -0.12    -0.07   0.11  -0.01     0.05  -0.03   0.06
     4   6     0.00   0.00   0.03     0.03   0.07  -0.00     0.05  -0.08  -0.17
     5   6     0.01   0.00   0.05     0.29   0.13  -0.05     0.00  -0.09   0.09
     6   6    -0.01  -0.01  -0.10     0.27   0.09  -0.04    -0.00  -0.02  -0.05
     7   6    -0.01  -0.01  -0.10    -0.24  -0.05   0.03     0.05   0.08  -0.02
     8   1    -0.06  -0.05  -0.45     0.01   0.13  -0.03    -0.03  -0.04   0.20
     9   1    -0.00  -0.01  -0.05     0.37   0.06  -0.07     0.04  -0.05   0.39
    10   1    -0.05  -0.05  -0.42     0.26   0.09  -0.05     0.12   0.03   0.14
    11   6    -0.00   0.00  -0.00     0.01   0.02   0.02     0.06   0.06  -0.11
    12   6    -0.00   0.00   0.00    -0.01   0.05   0.02    -0.02   0.02  -0.01
    13   6     0.00  -0.00   0.00    -0.01   0.01   0.01    -0.05   0.04  -0.00
    14   1    -0.00   0.00   0.00     0.03   0.03   0.03     0.11   0.07  -0.07
    15   1     0.00  -0.01   0.00    -0.04   0.08   0.03    -0.08  -0.04   0.04
    16   1     0.00   0.01   0.01    -0.02   0.05   0.01    -0.12   0.15   0.09
    17   1    -0.00   0.01   0.00    -0.02   0.03  -0.00    -0.03  -0.15  -0.01
    18   8     0.00  -0.00   0.00    -0.00  -0.00  -0.04    -0.04  -0.02   0.02
    19   8    -0.00   0.01   0.00    -0.02  -0.01  -0.01     0.05  -0.01   0.07
    20   1     0.01  -0.08   0.00    -0.02   0.01  -0.04    -0.02   0.21   0.19
    21   6     0.01   0.01   0.05    -0.29  -0.19   0.05    -0.00  -0.07  -0.01
    22   6     0.01   0.01   0.07    -0.06  -0.12   0.01    -0.07  -0.05   0.17
    23   6    -0.01  -0.01  -0.12     0.06  -0.17   0.01    -0.08  -0.09   0.03
    24   8    -0.00  -0.00  -0.01    -0.03   0.05   0.00    -0.06   0.12  -0.04
    25   6    -0.00  -0.00  -0.00     0.04  -0.03  -0.00     0.06   0.03  -0.02
    26   1    -0.05  -0.05  -0.46    -0.18  -0.03   0.03     0.10   0.08  -0.23
    27   1    -0.01  -0.01  -0.12    -0.28  -0.19   0.06     0.09  -0.22  -0.30
    28   1    -0.06  -0.05  -0.48    -0.07  -0.21   0.03    -0.17  -0.13  -0.09
    29   1     0.00   0.01   0.00     0.12  -0.02  -0.01     0.20   0.04  -0.03
    30   1    -0.01  -0.01   0.00     0.12  -0.02  -0.01     0.17   0.02  -0.02
    31   1    -0.00   0.00   0.00    -0.02  -0.14   0.02    -0.04  -0.15   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.4928               599.0971               621.9965
 Red. masses --      4.0554                 1.1580                 4.1644
 Frc consts  --      0.7831                 0.2449                 0.9492
 IR Inten    --     12.6870                43.8742                 5.1561
 RamAct Fr= 1--      4.9622                 1.4207                 1.3408
  Dep-P Fr= 1--      0.2747                 0.5770                 0.7156
  Dep-U Fr= 1--      0.4310                 0.7317                 0.8342
 Alpha2 Fr= 1--      0.0548                 0.0046                 0.0008
 Beta2  Fr= 1--      0.3564                 0.1733                 0.1864
 AlphaG Fr= 1--     -0.1235                -0.1288                -0.0057
 Gamma2 Fr= 1--      1.2131                -1.0341                 0.3490
 Delta2 Fr= 1--     -0.4146                 0.5622                 0.4004
 Raman1 Fr= 1--      19.849                  5.683                  5.363
 ROA1   Fr= 1--     103.187                -81.284                 46.318
 CID1   Fr= 1--       5.199                -14.303                  8.636
 Raman2 Fr= 1--       4.277                  2.079                  2.237
 ROA2   Fr= 1--      32.431                -29.317                  5.173
 CID2   Fr= 1--       7.582                -14.100                  2.312
 Raman3 Fr= 1--       8.555                  4.159                  4.474
 ROA3   Fr= 1--     103.187                -81.284                 46.318
 CID3   Fr= 1--      12.062                -19.547                 10.352
 RC180  Fr= 1--      -0.138                  0.463                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.09     0.01  -0.00  -0.01     0.08  -0.01  -0.05
     2   6    -0.03   0.02   0.11     0.01   0.00   0.03     0.12   0.01   0.04
     3   6     0.07  -0.03  -0.05     0.00  -0.00  -0.02     0.04  -0.11   0.04
     4   6     0.08  -0.02   0.14     0.01   0.00   0.03    -0.10  -0.01   0.07
     5   6    -0.03  -0.07  -0.05     0.00   0.01   0.00    -0.03   0.04   0.02
     6   6    -0.02  -0.01   0.04    -0.00   0.00  -0.00     0.00   0.14  -0.03
     7   6     0.10   0.10  -0.02     0.00  -0.00  -0.01     0.03   0.08  -0.06
     8   1    -0.01  -0.06  -0.15     0.01   0.00  -0.01     0.07  -0.10  -0.07
     9   1    -0.08  -0.08  -0.30    -0.01  -0.00  -0.07     0.06  -0.07  -0.13
    10   1     0.03  -0.01  -0.15    -0.02  -0.01  -0.09    -0.06   0.10  -0.21
    11   6     0.06  -0.01   0.13     0.00  -0.02   0.00    -0.15  -0.00  -0.16
    12   6    -0.01   0.04   0.03     0.01  -0.03  -0.02    -0.00  -0.04  -0.03
    13   6     0.02  -0.05   0.03    -0.01   0.03  -0.00    -0.05   0.05  -0.10
    14   1     0.05   0.03   0.16    -0.02  -0.03  -0.03    -0.26  -0.03  -0.25
    15   1    -0.07   0.16   0.03     0.01   0.01  -0.03     0.16  -0.25  -0.07
    16   1    -0.02  -0.01  -0.03     0.01  -0.05  -0.04     0.05  -0.00   0.04
    17   1    -0.02  -0.01  -0.03     0.01  -0.01  -0.02     0.03   0.12   0.12
    18   8     0.01   0.01  -0.12    -0.01   0.02   0.00    -0.06  -0.04   0.18
    19   8    -0.11   0.01  -0.04     0.01  -0.07   0.01     0.14   0.03  -0.00
    20   1    -0.03  -0.27  -0.19    -0.15   0.97   0.01     0.12  -0.25   0.29
    21   6     0.03  -0.06   0.02     0.00  -0.00   0.01     0.01   0.00   0.04
    22   6    -0.13  -0.08  -0.12    -0.01  -0.00  -0.03    -0.06  -0.03  -0.11
    23   6    -0.08  -0.11   0.02     0.00  -0.01   0.00     0.09  -0.11   0.02
    24   8    -0.09   0.17   0.03    -0.01   0.01   0.01    -0.07   0.06   0.02
    25   6     0.06   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.02   0.01
    26   1     0.17   0.13   0.14     0.01   0.00   0.03     0.05   0.09   0.09
    27   1     0.22  -0.18   0.28     0.02  -0.00   0.07     0.12  -0.05   0.30
    28   1    -0.11  -0.12   0.14     0.01  -0.00   0.02     0.14  -0.09   0.17
    29   1     0.20   0.02  -0.03     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    30   1     0.23   0.04  -0.03     0.01   0.00  -0.00     0.04  -0.01  -0.01
    31   1    -0.07  -0.20   0.03    -0.01  -0.01   0.00    -0.08  -0.11   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    644.0907               691.0470               715.7436
 Red. masses --      3.6662                 4.6143                 3.8806
 Frc consts  --      0.8961                 1.2983                 1.1713
 IR Inten    --      1.3807                 5.5599                 5.3658
 RamAct Fr= 1--      0.6355                 1.8807                 2.0080
  Dep-P Fr= 1--      0.5956                 0.1905                 0.2341
  Dep-U Fr= 1--      0.7466                 0.3201                 0.3794
 Alpha2 Fr= 1--      0.0018                 0.0262                 0.0249
 Beta2  Fr= 1--      0.0791                 0.1003                 0.1270
 AlphaG Fr= 1--     -0.0391                 0.0938                 0.0728
 Gamma2 Fr= 1--      1.1094                -0.5448                -1.3114
 Delta2 Fr= 1--      0.5213                -0.5999                -0.3173
 Raman1 Fr= 1--       2.542                  7.523                  8.032
 ROA1   Fr= 1--     123.183                -71.493               -136.052
 CID1   Fr= 1--      48.458                 -9.504                -16.939
 Raman2 Fr= 1--       0.949                  1.204                  1.524
 ROA2   Fr= 1--      22.455                 -8.275                -28.936
 CID2   Fr= 1--      23.664                 -6.873                -18.992
 Raman3 Fr= 1--       1.898                  2.408                  3.047
 ROA3   Fr= 1--     123.183                -71.493               -136.052
 CID3   Fr= 1--      64.908                -29.689                -44.648
 RC180  Fr= 1--       0.493                 -0.360                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.00    -0.06  -0.01  -0.08     0.02   0.02  -0.12
     2   6     0.09  -0.01  -0.10    -0.07  -0.03  -0.01    -0.00   0.01   0.01
     3   6     0.01  -0.11  -0.06    -0.07   0.13  -0.06     0.08  -0.04  -0.02
     4   6    -0.11  -0.01   0.03     0.03   0.05   0.19     0.10   0.01   0.18
     5   6    -0.07   0.05  -0.08     0.13  -0.02  -0.08    -0.08  -0.04  -0.01
     6   6    -0.03   0.16   0.05     0.10  -0.16   0.09    -0.05   0.03   0.08
     7   6     0.03   0.07   0.09     0.13  -0.13   0.10    -0.11   0.16   0.07
     8   1     0.08  -0.09   0.02    -0.06   0.12  -0.18     0.03  -0.07  -0.19
     9   1     0.03  -0.03   0.01     0.04  -0.01  -0.39    -0.17  -0.04  -0.44
    10   1    -0.06   0.16   0.29     0.12  -0.16   0.00    -0.05   0.01  -0.17
    11   6    -0.10  -0.07   0.14    -0.09  -0.02  -0.04     0.13   0.06  -0.11
    12   6    -0.01  -0.01   0.02    -0.01   0.02  -0.00     0.03  -0.03  -0.03
    13   6     0.07  -0.02   0.03    -0.06   0.04  -0.09    -0.05  -0.03  -0.04
    14   1    -0.13  -0.10   0.09    -0.21  -0.03  -0.12     0.11   0.13  -0.05
    15   1     0.05   0.11  -0.04     0.08  -0.06  -0.03    -0.03  -0.14   0.03
    16   1     0.12  -0.19  -0.13     0.05  -0.01  -0.00    -0.12   0.17   0.12
    17   1     0.01   0.19  -0.00     0.01   0.16   0.07     0.01  -0.26   0.01
    18   8     0.07   0.03  -0.01    -0.06  -0.03   0.09    -0.08  -0.01  -0.01
    19   8    -0.04  -0.02  -0.06     0.08   0.01  -0.04     0.02   0.01   0.04
    20   1    -0.03   0.14  -0.23     0.04  -0.03   0.18    -0.01  -0.00   0.18
    21   6    -0.01   0.01  -0.08     0.12  -0.04  -0.09    -0.15   0.02  -0.06
    22   6     0.00   0.02   0.21    -0.01   0.04   0.16     0.03  -0.01   0.13
    23   6     0.09  -0.10  -0.05    -0.09   0.06  -0.05     0.01  -0.04  -0.04
    24   8    -0.05   0.03  -0.03    -0.08   0.09  -0.02     0.10  -0.11  -0.02
    25   6    -0.04  -0.02   0.00    -0.01   0.01  -0.00     0.04   0.01  -0.01
    26   1    -0.00   0.05  -0.09     0.18  -0.12   0.09    -0.15   0.16   0.18
    27   1    -0.00  -0.09  -0.51     0.09  -0.07  -0.35    -0.16   0.01  -0.20
    28   1     0.11  -0.11  -0.31    -0.11   0.04  -0.25    -0.05  -0.07  -0.20
    29   1     0.01  -0.00   0.00     0.09   0.02  -0.01    -0.06   0.01   0.01
    30   1    -0.01  -0.04   0.01     0.07   0.00  -0.00    -0.07  -0.00   0.01
    31   1    -0.06  -0.07   0.00    -0.08  -0.12   0.02     0.12   0.16  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    751.0296               769.7664               784.4519
 Red. masses --      4.8895                 4.5711                 2.6607
 Frc consts  --      1.6249                 1.5958                 0.9647
 IR Inten    --      4.1454                 7.9117                 4.3399
 RamAct Fr= 1--      1.2851                64.1437                 5.6524
  Dep-P Fr= 1--      0.6879                 0.0710                 0.0578
  Dep-U Fr= 1--      0.8151                 0.1326                 0.1093
 Alpha2 Fr= 1--      0.0014                 1.2048                 0.1096
 Beta2  Fr= 1--      0.1746                 1.4181                 0.1029
 AlphaG Fr= 1--     -0.0439                 0.0288                -0.1705
 Gamma2 Fr= 1--      2.7608                 1.0968                 0.0365
 Delta2 Fr= 1--     -0.2641                -0.3031                 0.5265
 Raman1 Fr= 1--       5.141                256.575                 22.610
 ROA1   Fr= 1--     256.586                 95.590                 20.352
 CID1   Fr= 1--      49.914                  0.373                  0.900
 Raman2 Fr= 1--       2.095                 17.017                  1.235
 ROA2   Fr= 1--      68.371                 28.748                 -3.336
 CID2   Fr= 1--      32.636                  1.689                 -2.700
 Raman3 Fr= 1--       4.190                 34.034                  2.471
 ROA3   Fr= 1--     256.586                 95.590                 20.352
 CID3   Fr= 1--      61.238                  2.809                  8.237
 RC180  Fr= 1--       0.630                 -0.735                 -0.781
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.03     0.04   0.11   0.08    -0.02   0.00  -0.18
     2   6    -0.00  -0.01   0.02    -0.02  -0.12  -0.05     0.03  -0.01   0.22
     3   6     0.01   0.02   0.00    -0.01   0.12  -0.04    -0.02   0.03   0.04
     4   6     0.01   0.00   0.01     0.02   0.04  -0.00    -0.03  -0.01  -0.14
     5   6     0.00   0.00   0.01     0.03  -0.03  -0.05     0.02   0.01   0.08
     6   6    -0.00  -0.02   0.01     0.01  -0.26   0.02    -0.00  -0.06  -0.07
     7   6    -0.01   0.03   0.01    -0.05   0.29  -0.04     0.00   0.06   0.01
     8   1     0.02   0.02  -0.01    -0.03   0.12  -0.04     0.02   0.07   0.40
     9   1    -0.03   0.02  -0.06    -0.08   0.11   0.19     0.01   0.03   0.16
    10   1    -0.02  -0.03  -0.06    -0.02  -0.25   0.29    -0.05  -0.09  -0.21
    11   6     0.01  -0.01   0.05    -0.11  -0.07   0.10    -0.04  -0.02   0.03
    12   6     0.03  -0.16  -0.05    -0.04   0.05   0.04    -0.02   0.03   0.02
    13   6    -0.07   0.51   0.04    -0.02  -0.00  -0.05     0.02  -0.02   0.00
    14   1    -0.09  -0.24  -0.25    -0.12  -0.14   0.02    -0.00  -0.04   0.03
    15   1    -0.07   0.23  -0.09     0.05   0.16  -0.02     0.01   0.04   0.00
    16   1     0.04  -0.39  -0.30     0.13  -0.16  -0.11     0.04  -0.03  -0.02
    17   1     0.01  -0.15  -0.23    -0.02   0.33   0.03    -0.01   0.11   0.02
    18   8     0.08  -0.12  -0.05    -0.03  -0.01   0.06     0.01   0.01   0.01
    19   8    -0.06  -0.09   0.06     0.07   0.01  -0.08     0.01   0.00  -0.02
    20   1     0.01  -0.37  -0.04     0.03   0.07   0.04     0.01  -0.00  -0.04
    21   6    -0.02   0.01  -0.01    -0.05   0.08   0.05    -0.01   0.00  -0.11
    22   6     0.00  -0.00   0.02    -0.03  -0.04  -0.06     0.01   0.00   0.08
    23   6     0.00  -0.01  -0.01     0.03  -0.12   0.03     0.02  -0.03  -0.01
    24   8     0.01  -0.01  -0.00     0.08  -0.08   0.01     0.01  -0.01  -0.00
    25   6     0.01   0.00  -0.00     0.04   0.02  -0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.04    -0.07   0.27  -0.25     0.07   0.11   0.43
    27   1    -0.01   0.00  -0.01     0.06  -0.04  -0.07     0.06   0.02   0.26
    28   1    -0.00  -0.01  -0.04     0.11  -0.09   0.18    -0.02  -0.08  -0.55
    29   1    -0.01   0.00   0.00    -0.04   0.01   0.01    -0.00   0.00  -0.00
    30   1    -0.01   0.00   0.00    -0.04   0.02   0.00    -0.01   0.00   0.00
    31   1     0.02   0.02  -0.00     0.11   0.14  -0.03     0.01   0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    813.6681               820.7669               837.0484
 Red. masses --      3.2777                 1.5208                 1.7272
 Frc consts  --      1.2785                 0.6036                 0.7130
 IR Inten    --      6.0589                22.8057                 2.6706
 RamAct Fr= 1--      6.0793                 0.6566                 1.2016
  Dep-P Fr= 1--      0.4613                 0.2509                 0.3987
  Dep-U Fr= 1--      0.6313                 0.4012                 0.5701
 Alpha2 Fr= 1--      0.0356                 0.0078                 0.0089
 Beta2  Fr= 1--      0.6397                 0.0439                 0.1142
 AlphaG Fr= 1--     -0.0642                -0.0094                -0.0191
 Gamma2 Fr= 1--      0.9758                -0.4242                 0.2190
 Delta2 Fr= 1--     -0.8431                -0.1346                 0.0736
 Raman1 Fr= 1--      24.317                  2.626                  4.806
 ROA1   Fr= 1--      66.696                -45.031                 23.376
 CID1   Fr= 1--       2.743                -17.146                  4.864
 Raman2 Fr= 1--       7.676                  0.527                  1.370
 ROA2   Fr= 1--      30.164                 -9.104                  4.666
 CID2   Fr= 1--       3.930                -17.282                  3.406
 Raman3 Fr= 1--      15.352                  1.054                  2.740
 ROA3   Fr= 1--      66.696                -45.031                 23.376
 CID3   Fr= 1--       4.344                -42.739                  8.531
 RC180  Fr= 1--       0.263                 -0.198                  0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06  -0.04     0.02   0.00   0.11    -0.03   0.01  -0.04
     2   6    -0.04   0.07   0.07    -0.01   0.00  -0.05     0.03  -0.01   0.07
     3   6     0.13  -0.08  -0.03     0.02  -0.01   0.00    -0.05   0.02  -0.01
     4   6     0.06  -0.00   0.00     0.01   0.00   0.04    -0.00   0.01   0.11
     5   6    -0.01   0.00  -0.03    -0.01  -0.01  -0.06    -0.02  -0.02  -0.09
     6   6    -0.02   0.09  -0.07    -0.00   0.01  -0.01    -0.02  -0.02  -0.09
     7   6    -0.03  -0.07   0.05    -0.02  -0.02  -0.10     0.01   0.01   0.03
     8   1     0.24  -0.03   0.23    -0.01  -0.04  -0.34    -0.08   0.02   0.01
     9   1     0.06   0.02   0.33     0.03   0.02   0.18     0.04   0.05   0.50
    10   1     0.11   0.15   0.24     0.05   0.05   0.28     0.05   0.05   0.62
    11   6     0.05  -0.03   0.15     0.00  -0.00   0.01     0.03   0.04  -0.05
    12   6     0.00   0.02   0.06    -0.00  -0.00   0.00     0.02  -0.03  -0.03
    13   6    -0.10   0.02  -0.10    -0.01   0.01  -0.01     0.01   0.00   0.00
    14   1     0.12  -0.14   0.08     0.00  -0.02   0.00    -0.06   0.10  -0.04
    15   1    -0.11   0.39   0.03    -0.00   0.03  -0.00     0.01  -0.15  -0.00
    16   1     0.02  -0.20  -0.17     0.01  -0.02  -0.02    -0.05   0.10   0.08
    17   1    -0.02   0.03  -0.11    -0.00   0.01  -0.01     0.02  -0.13   0.02
    18   8    -0.11  -0.04   0.05    -0.01  -0.00   0.00     0.01   0.00  -0.01
    19   8     0.12   0.01  -0.13     0.01  -0.00  -0.01    -0.03  -0.00   0.04
    20   1     0.06  -0.00   0.16    -0.00   0.03   0.01    -0.02  -0.01   0.01
    21   6    -0.04  -0.02   0.03    -0.02  -0.01  -0.10     0.02   0.00   0.02
    22   6    -0.02  -0.01  -0.05     0.01   0.01   0.07     0.00  -0.00  -0.07
    23   6    -0.10   0.09   0.02    -0.01   0.01   0.02     0.05  -0.02   0.05
    24   8     0.02  -0.02   0.01     0.00  -0.01  -0.02    -0.01   0.02   0.02
    25   6     0.03   0.02  -0.00     0.01   0.00  -0.00    -0.02  -0.01   0.01
    26   1    -0.13  -0.12  -0.15     0.05   0.04   0.52     0.03   0.00  -0.14
    27   1    -0.12   0.01  -0.15     0.06   0.07   0.64     0.00  -0.02  -0.13
    28   1    -0.24   0.03  -0.17    -0.05  -0.01  -0.13     0.04  -0.05  -0.41
    29   1     0.01   0.02  -0.00     0.01  -0.00  -0.01    -0.01  -0.01   0.01
    30   1     0.02   0.02  -0.00    -0.00   0.01  -0.01    -0.00  -0.01   0.00
    31   1     0.04   0.03  -0.02     0.01   0.01   0.03    -0.02  -0.02  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    854.7622               898.8081               918.0622
 Red. masses --      3.2662                 1.6964                 1.4647
 Frc consts  --      1.4060                 0.8075                 0.7273
 IR Inten    --      6.3561                32.3655                 9.9138
 RamAct Fr= 1--     22.8798                 1.9868                 1.4166
  Dep-P Fr= 1--      0.1102                 0.7497                 0.7243
  Dep-U Fr= 1--      0.1985                 0.8570                 0.8401
 Alpha2 Fr= 1--      0.3907                 0.0000                 0.0006
 Beta2  Fr= 1--      0.7568                 0.2838                 0.1984
 AlphaG Fr= 1--      0.2756                -0.0007                -0.0143
 Gamma2 Fr= 1--     -2.2266                -0.4262                -0.9533
 Delta2 Fr= 1--      0.2290                -0.1356                -0.3724
 Raman1 Fr= 1--      91.519                  7.947                  5.667
 ROA1   Fr= 1--    -206.431                -45.249               -103.431
 CID1   Fr= 1--      -2.256                 -5.694                -18.253
 Raman2 Fr= 1--       9.082                  3.405                  2.380
 ROA2   Fr= 1--     -55.271                 -9.143                -19.900
 CID2   Fr= 1--      -6.086                 -2.685                 -8.360
 Raman3 Fr= 1--      18.163                  6.811                  4.760
 ROA3   Fr= 1--    -206.431                -45.249               -103.431
 CID3   Fr= 1--     -11.365                 -6.644                -21.727
 RC180  Fr= 1--      -0.603                  0.714                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.06   0.03    -0.00  -0.00  -0.03     0.01   0.00   0.07
     2   6     0.08  -0.03  -0.02     0.01   0.01   0.11    -0.01  -0.01  -0.02
     3   6    -0.16   0.09  -0.01     0.00  -0.00   0.01    -0.02  -0.02  -0.16
     4   6    -0.00  -0.03  -0.01    -0.00   0.00   0.02    -0.00   0.01   0.06
     5   6    -0.08  -0.03   0.03    -0.00  -0.00  -0.05     0.01   0.01  -0.00
     6   6    -0.05   0.02   0.03    -0.00  -0.01  -0.05     0.01  -0.00   0.02
     7   6     0.02  -0.02  -0.01     0.00   0.00   0.02     0.00   0.00   0.01
     8   1    -0.33   0.05   0.10     0.01   0.00   0.01     0.11   0.08   0.85
     9   1    -0.11  -0.02  -0.07     0.05   0.04   0.37     0.01   0.00  -0.03
    10   1    -0.15  -0.02  -0.10     0.02   0.01   0.15    -0.01  -0.01  -0.07
    11   6     0.16   0.02   0.10     0.00   0.01  -0.01    -0.00   0.02  -0.01
    12   6     0.07  -0.01   0.03     0.00  -0.01  -0.01     0.01  -0.02  -0.02
    13   6    -0.07   0.01  -0.05     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.21   0.04   0.15    -0.02   0.02  -0.01    -0.06   0.06  -0.01
    15   1    -0.22   0.32   0.10     0.01  -0.03  -0.00     0.01  -0.10  -0.00
    16   1    -0.14   0.01  -0.05    -0.01   0.01   0.01    -0.02   0.05   0.04
    17   1     0.02  -0.37  -0.20     0.00  -0.02   0.01     0.01  -0.07   0.03
    18   8    -0.09  -0.03   0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8     0.08   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00   0.01
    20   1     0.04  -0.01   0.12    -0.00   0.00   0.00    -0.00  -0.05   0.02
    21   6     0.04  -0.02  -0.02    -0.00  -0.00  -0.03    -0.00   0.00  -0.06
    22   6     0.06   0.03   0.01     0.01   0.01   0.09    -0.01  -0.00   0.01
    23   6     0.17  -0.08  -0.03    -0.02  -0.02  -0.18    -0.01  -0.00   0.01
    24   8    -0.03   0.06  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.00
    25   6    -0.08  -0.05   0.01     0.00   0.00  -0.00     0.01   0.01  -0.00
    26   1     0.16   0.02   0.03    -0.00  -0.00  -0.03    -0.04  -0.02  -0.19
    27   1     0.04   0.00   0.08     0.01   0.00   0.04     0.05   0.04   0.37
    28   1     0.35  -0.01   0.07     0.10   0.09   0.87    -0.02  -0.00   0.02
    29   1    -0.03  -0.04   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.03  -0.04   0.01    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    31   1    -0.10  -0.10   0.03     0.00   0.00   0.00     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    938.5338               950.3572               975.7303
 Red. masses --      3.7058                 1.3427                 1.4081
 Frc consts  --      1.9232                 0.7145                 0.7898
 IR Inten    --     12.0065                 2.2898                 1.0018
 RamAct Fr= 1--      7.5821                 1.2060                 3.4909
  Dep-P Fr= 1--      0.3337                 0.7230                 0.3078
  Dep-U Fr= 1--      0.5004                 0.8393                 0.4707
 Alpha2 Fr= 1--      0.0701                 0.0006                 0.0350
 Beta2  Fr= 1--      0.6323                 0.1687                 0.2739
 AlphaG Fr= 1--      0.1224                -0.0066                 0.2248
 Gamma2 Fr= 1--      2.0385                 0.3869                 2.2579
 Delta2 Fr= 1--     -1.1181                 0.1767                 0.8118
 Raman1 Fr= 1--      30.328                  4.824                 13.963
 ROA1   Fr= 1--     159.919                 42.801                242.735
 CID1   Fr= 1--       5.273                  8.873                 17.384
 Raman2 Fr= 1--       7.588                  2.024                  3.286
 ROA2   Fr= 1--      57.869                  7.873                 47.695
 CID2   Fr= 1--       7.627                  3.889                 14.513
 Raman3 Fr= 1--      15.175                  4.049                  6.573
 ROA3   Fr= 1--     159.919                 42.801                242.735
 CID3   Fr= 1--      10.538                 10.572                 36.930
 RC180  Fr= 1--       0.001                  0.679                 -0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.01     0.01   0.01   0.04     0.00   0.01  -0.01
     2   6    -0.05  -0.06   0.01     0.00   0.00   0.01    -0.00  -0.00  -0.02
     3   6    -0.10  -0.12   0.04    -0.00  -0.00  -0.06     0.01  -0.03   0.02
     4   6    -0.12  -0.03  -0.00     0.00   0.00   0.02    -0.01   0.01   0.01
     5   6     0.14   0.19  -0.04    -0.01  -0.01  -0.01    -0.01   0.01  -0.12
     6   6     0.04   0.01  -0.00     0.00  -0.00   0.01     0.01  -0.01   0.12
     7   6     0.03   0.03  -0.02    -0.02  -0.01  -0.12     0.00   0.02   0.01
     8   1    -0.17  -0.15  -0.08     0.05   0.03   0.29     0.01  -0.03  -0.07
     9   1     0.23   0.11  -0.01     0.00   0.01   0.09     0.07   0.11   0.66
    10   1    -0.18  -0.05  -0.02     0.00  -0.01  -0.05    -0.12  -0.11  -0.66
    11   6     0.06   0.04   0.04    -0.00   0.01  -0.00    -0.00   0.02   0.01
    12   6     0.08  -0.03  -0.02    -0.00  -0.01  -0.01     0.01  -0.02  -0.01
    13   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.01   0.18   0.15    -0.02   0.02  -0.01    -0.02   0.04   0.03
    15   1    -0.17   0.05   0.09     0.01  -0.04  -0.00    -0.00  -0.03   0.00
    16   1    -0.19   0.15   0.06     0.00   0.01   0.01    -0.02   0.01   0.01
    17   1     0.04  -0.47  -0.12     0.00  -0.00   0.01     0.01  -0.06  -0.00
    18   8    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8     0.02   0.00  -0.03    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.02   0.01  -0.01    -0.00  -0.02   0.01     0.00   0.01  -0.00
    21   6     0.13   0.19  -0.02     0.00   0.00   0.09    -0.02  -0.04   0.00
    22   6    -0.10  -0.03   0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    23   6    -0.12  -0.12   0.03     0.00   0.01  -0.01     0.00   0.04   0.02
    24   8     0.00  -0.07   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    25   6     0.09   0.07  -0.02    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1    -0.15  -0.01   0.12     0.09   0.08   0.73     0.06   0.03  -0.08
    27   1     0.19   0.12  -0.14    -0.07  -0.07  -0.55     0.01  -0.06   0.03
    28   1    -0.20  -0.15   0.03     0.01   0.01   0.05     0.00   0.04  -0.10
    29   1     0.04   0.06  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   1     0.04   0.06  -0.01    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    31   1     0.11   0.11  -0.03    -0.01  -0.01  -0.01    -0.02  -0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.4405              1013.2051              1069.6555
 Red. masses --      3.0946                 2.2961                 3.6461
 Frc consts  --      1.7491                 1.3888                 2.4579
 IR Inten    --      2.7261                10.9183                57.0531
 RamAct Fr= 1--     18.5458                 2.7398                 1.5821
  Dep-P Fr= 1--      0.1464                 0.5039                 0.0975
  Dep-U Fr= 1--      0.2554                 0.6702                 0.1776
 Alpha2 Fr= 1--      0.2893                 0.0133                 0.0279
 Beta2  Fr= 1--      0.7894                 0.3060                 0.0468
 AlphaG Fr= 1--     -0.3419                 0.0414                 0.0075
 Gamma2 Fr= 1--     -2.3611                 0.9008                -0.0900
 Delta2 Fr= 1--     -0.6285                -1.3790                -0.0493
 Raman1 Fr= 1--      74.183                 10.959                  6.328
 ROA1   Fr= 1--    -246.773                 42.351                -10.217
 CID1   Fr= 1--      -3.327                  3.864                 -1.614
 Raman2 Fr= 1--       9.472                  3.672                  0.562
 ROA2   Fr= 1--     -51.638                 32.652                 -1.766
 CID2   Fr= 1--      -5.451                  8.892                 -3.143
 Raman3 Fr= 1--      18.945                  7.345                  1.124
 ROA3   Fr= 1--    -246.773                 42.351                -10.217
 CID3   Fr= 1--     -13.026                  5.766                 -9.090
 RC180  Fr= 1--      -0.489                  0.340                 -0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.00    -0.03   0.01   0.00    -0.02  -0.01   0.00
     2   6    -0.00   0.02  -0.01    -0.01  -0.02   0.00    -0.06   0.05   0.00
     3   6    -0.02   0.16  -0.02    -0.04  -0.08  -0.00     0.02  -0.06   0.00
     4   6     0.08  -0.01   0.01     0.03  -0.04   0.04     0.02  -0.00  -0.00
     5   6    -0.06  -0.15  -0.04     0.03   0.11  -0.03     0.03   0.04  -0.01
     6   6     0.00   0.13   0.04    -0.03   0.00   0.01    -0.00  -0.04   0.00
     7   6    -0.01  -0.11   0.02     0.01   0.02  -0.01    -0.03   0.02   0.00
     8   1    -0.02   0.16   0.00    -0.18  -0.12   0.12     0.01  -0.06   0.01
     9   1     0.07  -0.18   0.35    -0.00   0.16   0.04    -0.05   0.12  -0.01
    10   1     0.21   0.16  -0.35    -0.25  -0.06   0.03    -0.00  -0.04   0.01
    11   6     0.01  -0.05  -0.05     0.09  -0.13  -0.13     0.00  -0.00   0.01
    12   6    -0.04   0.05   0.03    -0.03   0.13   0.10    -0.02  -0.00  -0.01
    13   6     0.01   0.01  -0.01     0.02  -0.01  -0.06    -0.01   0.01   0.01
    14   1     0.02  -0.16  -0.15     0.10  -0.43  -0.44     0.04   0.01   0.05
    15   1     0.06   0.06  -0.02    -0.06   0.47   0.04     0.04  -0.09  -0.02
    16   1     0.08  -0.05  -0.03     0.02  -0.09  -0.13     0.03   0.01   0.03
    17   1    -0.03   0.26   0.04    -0.04   0.23  -0.09    -0.01   0.07   0.05
    18   8     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.02  -0.00   0.03    -0.04  -0.01   0.08     0.01  -0.00  -0.01
    20   1    -0.02  -0.01   0.04    -0.05  -0.02   0.11     0.01   0.00  -0.03
    21   6     0.07   0.19  -0.03     0.01  -0.02   0.00     0.04   0.11  -0.02
    22   6    -0.06  -0.00   0.00     0.01   0.00  -0.00     0.15  -0.07  -0.01
    23   6    -0.00  -0.19   0.03     0.00   0.02  -0.00    -0.04  -0.08   0.01
    24   8    -0.00  -0.04   0.00     0.00   0.01  -0.00     0.17   0.20  -0.04
    25   6     0.04   0.03  -0.01    -0.01  -0.00   0.00    -0.20  -0.19   0.04
    26   1    -0.31  -0.20   0.04     0.08   0.05  -0.01    -0.24  -0.03   0.03
    27   1    -0.04   0.30  -0.02     0.04  -0.04  -0.00    -0.10   0.25  -0.01
    28   1    -0.07  -0.22  -0.01     0.04   0.03  -0.01    -0.64  -0.28   0.11
    29   1     0.00   0.02  -0.00     0.00  -0.00  -0.00    -0.10  -0.13   0.04
    30   1     0.00   0.02  -0.00     0.00  -0.00   0.00    -0.11  -0.14   0.01
    31   1     0.07   0.07  -0.02    -0.01  -0.01   0.00    -0.16  -0.15   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1077.3910              1091.4306              1164.9454
 Red. masses --      2.2671                 1.6796                 1.5982
 Frc consts  --      1.5505                 1.1788                 1.2779
 IR Inten    --     14.9109                 4.6656                24.3909
 RamAct Fr= 1--     11.0135                 7.8657                 1.5586
  Dep-P Fr= 1--      0.6092                 0.1315                 0.6206
  Dep-U Fr= 1--      0.7572                 0.2324                 0.7659
 Alpha2 Fr= 1--      0.0285                 0.1274                 0.0037
 Beta2  Fr= 1--      1.3898                 0.3046                 0.1990
 AlphaG Fr= 1--      0.0444                -0.1523                -0.0019
 Gamma2 Fr= 1--     -1.2854                 1.1758                -1.8979
 Delta2 Fr= 1--      0.1073                 0.5771                -2.1260
 Raman1 Fr= 1--      44.054                 31.463                  6.234
 ROA1   Fr= 1--    -119.966                131.341               -250.232
 CID1   Fr= 1--      -2.723                  4.174                -40.138
 Raman2 Fr= 1--      16.678                  3.655                  2.388
 ROA2   Fr= 1--     -31.708                 23.602                -28.542
 CID2   Fr= 1--      -1.901                  6.457                -11.955
 Raman3 Fr= 1--      33.356                  7.311                  4.775
 ROA3   Fr= 1--    -119.966                131.341               -250.232
 CID3   Fr= 1--      -3.597                 17.966                -52.404
 RC180  Fr= 1--       0.514                 -0.535                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.03   0.02   0.00     0.01  -0.08   0.01
     2   6     0.01   0.02  -0.00     0.01   0.00  -0.00     0.01  -0.04   0.00
     3   6    -0.01   0.00   0.00    -0.05  -0.07   0.01    -0.05   0.05  -0.00
     4   6    -0.10   0.07   0.00     0.03   0.01   0.01    -0.07   0.05   0.01
     5   6    -0.01  -0.06   0.01     0.02   0.02  -0.01     0.01  -0.06   0.00
     6   6     0.04  -0.04  -0.00     0.00  -0.01   0.00    -0.02   0.04  -0.00
     7   6    -0.01   0.02  -0.00    -0.00  -0.01   0.00    -0.05   0.08  -0.00
     8   1     0.18   0.06  -0.04    -0.24  -0.13   0.07     0.17   0.11  -0.02
     9   1     0.05  -0.13  -0.01    -0.00   0.04   0.00     0.32  -0.35   0.00
    10   1     0.20   0.00  -0.02    -0.07  -0.03   0.01    -0.11   0.02   0.01
    11   6    -0.02   0.20  -0.03     0.08   0.13  -0.00     0.06  -0.03  -0.01
    12   6     0.06  -0.11   0.09    -0.11  -0.08  -0.01    -0.02   0.03  -0.01
    13   6     0.04  -0.11  -0.07    -0.02   0.00   0.05    -0.01   0.02   0.01
    14   1    -0.00  -0.07  -0.29     0.43  -0.03   0.05     0.22  -0.10   0.03
    15   1    -0.09   0.50   0.02     0.29  -0.20  -0.18     0.04  -0.07  -0.02
    16   1     0.03  -0.47  -0.31     0.32  -0.31  -0.07     0.03   0.06   0.04
    17   1     0.02  -0.10  -0.27    -0.04   0.53   0.13    -0.01   0.04   0.04
    18   8     0.02   0.03   0.00    -0.03  -0.00  -0.01    -0.01  -0.01  -0.00
    19   8    -0.04   0.01   0.05     0.02   0.01  -0.03     0.01  -0.00  -0.01
    20   1    -0.05   0.00   0.13     0.03   0.01  -0.06     0.01  -0.00  -0.02
    21   6     0.01   0.01  -0.00     0.02   0.01  -0.00     0.05  -0.04  -0.00
    22   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.02   0.00   0.00
    23   6    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.03   0.06  -0.00
    24   8     0.01   0.01  -0.00    -0.02  -0.02   0.00     0.04   0.02  -0.01
    25   6    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.03  -0.02   0.00
    26   1    -0.05   0.00   0.00     0.04   0.01  -0.00    -0.38  -0.02   0.05
    27   1     0.04  -0.02  -0.00     0.03  -0.00  -0.00     0.50  -0.44  -0.01
    28   1    -0.11  -0.03   0.02     0.04  -0.00  -0.00    -0.01   0.07  -0.01
    29   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.03  -0.00  -0.00
    30   1    -0.00  -0.01   0.00     0.01   0.01  -0.00     0.02  -0.01   0.00
    31   1    -0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.00   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5591              1181.4664              1187.9317
 Red. masses --      1.2707                 1.7590                 1.7944
 Frc consts  --      1.0294                 1.4466                 1.4920
 IR Inten    --      0.8504                45.1883                68.4693
 RamAct Fr= 1--      0.8819                 9.4763                19.7263
  Dep-P Fr= 1--      0.7483                 0.1198                 0.4579
  Dep-U Fr= 1--      0.8560                 0.2140                 0.6282
 Alpha2 Fr= 1--      0.0000                 0.1580                 0.1171
 Beta2  Fr= 1--      0.1258                 0.3380                 2.0653
 AlphaG Fr= 1--     -0.0045                -0.0583                -0.0039
 Gamma2 Fr= 1--     -0.1775                -0.4022                -6.5824
 Delta2 Fr= 1--      0.0020                -0.1440                -0.8401
 Raman1 Fr= 1--       3.527                 37.905                 78.905
 ROA1   Fr= 1--     -16.974                -43.221               -658.797
 CID1   Fr= 1--      -4.812                 -1.140                 -8.349
 Raman2 Fr= 1--       1.510                  4.056                 24.784
 ROA2   Fr= 1--      -4.276                 -8.501               -151.258
 CID2   Fr= 1--      -2.832                 -2.096                 -6.103
 Raman3 Fr= 1--       3.020                  8.113                 49.568
 ROA3   Fr= 1--     -16.974                -43.221               -658.797
 CID3   Fr= 1--      -5.621                 -5.328                -13.291
 RC180  Fr= 1--       0.712                 -0.572                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.02   0.03  -0.00    -0.07  -0.04   0.01
     2   6    -0.00   0.00  -0.00    -0.06  -0.08   0.02    -0.10  -0.03   0.02
     3   6     0.00  -0.00   0.00     0.03   0.05  -0.01     0.02  -0.02  -0.01
     4   6     0.00  -0.00  -0.00     0.06  -0.06  -0.01    -0.02  -0.01   0.02
     5   6    -0.00   0.00   0.00     0.07   0.00  -0.01    -0.03   0.03  -0.00
     6   6     0.00  -0.00   0.00    -0.05   0.08  -0.00     0.05   0.02  -0.01
     7   6     0.00  -0.00   0.00     0.03  -0.02  -0.00     0.03   0.02  -0.01
     8   1    -0.00  -0.00  -0.00    -0.15  -0.00   0.01     0.21   0.04   0.01
     9   1    -0.00   0.00  -0.00     0.44  -0.34  -0.02    -0.15   0.14   0.02
    10   1     0.00  -0.00  -0.00    -0.42  -0.02   0.05     0.54   0.17  -0.08
    11   6    -0.00   0.00   0.00    -0.04   0.06   0.01    -0.01  -0.01  -0.08
    12   6     0.00  -0.00   0.00    -0.00  -0.03   0.01     0.01   0.01   0.03
    13   6     0.00  -0.00  -0.00     0.01  -0.02  -0.01    -0.02  -0.00   0.13
    14   1    -0.00   0.00  -0.00    -0.18   0.10  -0.04     0.07  -0.02  -0.04
    15   1    -0.00   0.00   0.00     0.01   0.03  -0.01    -0.03   0.11   0.02
    16   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.04    -0.02  -0.07  -0.07
    17   1     0.00  -0.00  -0.00    -0.00   0.02  -0.02    -0.01  -0.04  -0.07
    18   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    19   8    -0.00   0.00   0.00    -0.01   0.00   0.00     0.05   0.01  -0.03
    20   1    -0.00   0.00   0.00    -0.01  -0.00   0.04     0.12   0.03  -0.40
    21   6    -0.00   0.00   0.00    -0.04  -0.02   0.01    -0.01   0.02  -0.00
    22   6     0.00   0.00   0.00    -0.06   0.04   0.00    -0.07  -0.01   0.01
    23   6     0.00  -0.00  -0.00    -0.04  -0.01   0.01     0.01  -0.01  -0.00
    24   8     0.01   0.01   0.06     0.06   0.05  -0.01     0.06   0.03  -0.01
    25   6    -0.02  -0.01  -0.14     0.01  -0.09   0.01    -0.02  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.21   0.03  -0.03     0.17   0.06  -0.03
    27   1    -0.00   0.00   0.01    -0.12   0.05   0.01     0.10  -0.08  -0.00
    28   1     0.00   0.00   0.01     0.26   0.08  -0.04     0.46   0.13  -0.07
    29   1     0.44   0.50   0.07    -0.20  -0.03   0.08    -0.05  -0.01   0.03
    30   1    -0.40  -0.46   0.28    -0.21  -0.04  -0.02    -0.05  -0.02  -0.01
    31   1     0.03   0.03   0.28     0.22   0.28  -0.06     0.08   0.11  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.1426              1199.4921              1206.3382
 Red. masses --      1.9037                 1.4309                 1.6150
 Frc consts  --      1.6048                 1.2130                 1.3847
 IR Inten    --     10.9382                21.2739                 0.4607
 RamAct Fr= 1--     23.3972                69.4513                 3.0265
  Dep-P Fr= 1--      0.7365                 0.2512                 0.2947
  Dep-U Fr= 1--      0.8482                 0.4016                 0.4552
 Alpha2 Fr= 1--      0.0054                 0.8203                 0.0315
 Beta2  Fr= 1--      3.3078                 4.6483                 0.2296
 AlphaG Fr= 1--      0.0228                 0.1380                 0.0547
 Gamma2 Fr= 1--      1.3731                14.9410                 2.4863
 Delta2 Fr= 1--     -0.4649                -0.2107                -0.1491
 Raman1 Fr= 1--      93.589                277.805                 12.106
 ROA1   Fr= 1--     116.936               1427.590                233.917
 CID1   Fr= 1--       1.249                  5.139                 19.323
 Raman2 Fr= 1--      39.693                 55.779                  2.755
 ROA2   Fr= 1--      36.673                360.270                 60.865
 CID2   Fr= 1--       0.924                  6.459                 22.090
 Raman3 Fr= 1--      79.386                111.558                  5.511
 ROA3   Fr= 1--     116.936               1427.590                233.917
 CID3   Fr= 1--       1.473                 12.797                 42.448
 RC180  Fr= 1--       0.696                 -0.197                 -0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.01    -0.03  -0.01   0.00     0.07   0.03  -0.01
     2   6     0.06   0.00  -0.01     0.00  -0.00   0.00     0.09   0.05  -0.02
     3   6     0.00   0.03  -0.01    -0.00  -0.02   0.00    -0.03  -0.02   0.00
     4   6     0.00   0.00   0.03    -0.12   0.06   0.01    -0.02   0.05   0.01
     5   6     0.02  -0.03  -0.00    -0.01  -0.03   0.00    -0.02  -0.01   0.00
     6   6    -0.03  -0.01   0.00     0.01  -0.03   0.00     0.00  -0.05   0.01
     7   6    -0.01  -0.00   0.00     0.04   0.01  -0.01    -0.02  -0.04   0.01
     8   1     0.01   0.03   0.04     0.42   0.11  -0.05    -0.15  -0.06   0.03
     9   1     0.22  -0.21   0.01     0.20  -0.24   0.00    -0.20   0.16   0.01
    10   1    -0.41  -0.12   0.07     0.01  -0.03   0.00     0.06  -0.04  -0.00
    11   6    -0.04  -0.01  -0.11     0.07  -0.04   0.01    -0.01  -0.03  -0.02
    12   6     0.03   0.01   0.04    -0.02   0.03  -0.02     0.02   0.01   0.00
    13   6    -0.03  -0.01   0.19    -0.01   0.02  -0.02    -0.01   0.01   0.03
    14   1    -0.01   0.00  -0.07     0.31  -0.15   0.04     0.08  -0.05   0.01
    15   1    -0.07   0.17   0.05     0.04  -0.09  -0.02    -0.03   0.02   0.02
    16   1    -0.06  -0.10  -0.11     0.03   0.10   0.07    -0.04   0.03  -0.00
    17   1     0.00  -0.09  -0.13    -0.01   0.01   0.07     0.01  -0.05  -0.03
    18   8    -0.05  -0.01  -0.01     0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    19   8     0.07   0.01  -0.04    -0.01  -0.00   0.00     0.01   0.00  -0.01
    20   1     0.17   0.03  -0.54    -0.02  -0.00   0.08     0.04   0.00  -0.11
    21   6    -0.01  -0.00   0.00    -0.03   0.02   0.00     0.01  -0.04   0.00
    22   6     0.06  -0.00  -0.01     0.01   0.01  -0.00    -0.03   0.06  -0.00
    23   6    -0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.01   0.00
    24   8    -0.04  -0.03   0.01    -0.02   0.01   0.00    -0.04   0.04   0.00
    25   6     0.00   0.05  -0.01     0.03  -0.02  -0.00     0.09  -0.08  -0.00
    26   1     0.03   0.01  -0.00     0.52   0.15  -0.08    -0.17  -0.09   0.03
    27   1    -0.18   0.15   0.00    -0.30   0.26   0.01     0.12  -0.14   0.00
    28   1    -0.33  -0.09   0.05    -0.12  -0.06   0.02    -0.24  -0.08   0.04
    29   1     0.09   0.01  -0.04    -0.09  -0.00   0.03    -0.36  -0.01   0.12
    30   1     0.09   0.02   0.01    -0.10  -0.01  -0.01    -0.37  -0.03  -0.03
    31   1    -0.12  -0.16   0.03     0.09   0.09  -0.02     0.40   0.48  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1262.6288              1297.6505              1303.7685
 Red. masses --      1.8247                 1.7861                 1.4240
 Frc consts  --      1.7139                 1.7720                 1.4261
 IR Inten    --     87.0675                11.5814                23.6716
 RamAct Fr= 1--     46.3115                 5.5703                 9.6714
  Dep-P Fr= 1--      0.2446                 0.2278                 0.5459
  Dep-U Fr= 1--      0.3931                 0.3711                 0.7062
 Alpha2 Fr= 1--      0.5571                 0.0702                 0.0378
 Beta2  Fr= 1--      3.0343                 0.3445                 1.1384
 AlphaG Fr= 1--      0.3421                -0.0606                 0.0641
 Gamma2 Fr= 1--      1.4146                -4.3909                 2.8341
 Delta2 Fr= 1--     -1.4488                -0.1032                -3.0723
 Raman1 Fr= 1--     185.246                 22.281                 38.686
 ROA1   Fr= 1--      89.444               -424.831                173.758
 CID1   Fr= 1--       0.483                -19.067                  4.492
 Raman2 Fr= 1--      36.411                  4.134                 13.660
 ROA2   Fr= 1--      45.541               -104.557                 92.596
 CID2   Fr= 1--       1.251                -25.290                  6.778
 Raman3 Fr= 1--      72.822                  8.269                 27.321
 ROA3   Fr= 1--      89.444               -424.831                173.758
 CID3   Fr= 1--       1.228                -51.379                  6.360
 RC180  Fr= 1--      -0.214                 -0.258                  0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.08  -0.03    -0.07   0.13  -0.00    -0.04   0.00   0.00
     2   6    -0.02   0.02   0.00    -0.05   0.15  -0.01    -0.03   0.01   0.00
     3   6    -0.02  -0.03   0.00     0.05  -0.05  -0.00     0.02  -0.01  -0.00
     4   6    -0.07   0.11   0.01    -0.03  -0.01   0.00     0.02  -0.01   0.02
     5   6     0.01  -0.01  -0.00     0.03  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.02  -0.04   0.01    -0.02  -0.06   0.01    -0.00   0.00  -0.00
     7   6     0.01  -0.05   0.00    -0.02  -0.05   0.01    -0.00   0.01  -0.00
     8   1    -0.47  -0.15   0.08     0.51   0.07  -0.07     0.07   0.01   0.02
     9   1     0.16  -0.15   0.00     0.08  -0.05  -0.01     0.04  -0.02   0.02
    10   1     0.21   0.02  -0.03    -0.38  -0.17   0.07    -0.06  -0.01   0.01
    11   6    -0.03  -0.03  -0.01     0.01   0.01   0.02    -0.08  -0.05  -0.11
    12   6     0.03   0.02  -0.01    -0.00   0.01  -0.01     0.01  -0.01   0.06
    13   6    -0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.02
    14   1     0.38  -0.16   0.10    -0.04  -0.10  -0.13     0.40   0.42   0.66
    15   1    -0.05  -0.01   0.03     0.01  -0.04  -0.00    -0.02   0.16   0.03
    16   1    -0.06   0.08   0.02     0.03   0.02   0.01    -0.04  -0.14  -0.10
    17   1     0.02  -0.06  -0.03    -0.00  -0.06   0.03    -0.02   0.03  -0.12
    18   8     0.01  -0.00   0.00    -0.01  -0.00  -0.00     0.05   0.01   0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01  -0.02
    20   1     0.01   0.00  -0.03     0.01   0.00  -0.03    -0.08  -0.01   0.28
    21   6    -0.03  -0.03   0.01     0.04   0.00  -0.01     0.01   0.00  -0.00
    22   6    -0.05   0.02   0.00     0.01  -0.04   0.00     0.03  -0.03  -0.00
    23   6    -0.05  -0.03   0.01     0.04  -0.05   0.00     0.02  -0.00  -0.00
    24   8     0.07  -0.01  -0.01    -0.02   0.01   0.00    -0.03   0.01   0.00
    25   6    -0.05   0.01   0.00     0.02  -0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.21  -0.13   0.04    -0.42  -0.16   0.07    -0.07  -0.00   0.01
    27   1    -0.26   0.18   0.01     0.04   0.00  -0.01     0.02   0.00  -0.00
    28   1     0.37   0.10  -0.06     0.46   0.08  -0.06     0.05   0.01  -0.01
    29   1     0.13   0.00  -0.03    -0.04   0.00   0.01    -0.05  -0.00   0.01
    30   1     0.14   0.01   0.00    -0.04  -0.00  -0.00    -0.05  -0.00   0.00
    31   1    -0.13  -0.14   0.03     0.03   0.03  -0.01     0.02   0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1307.8195              1328.3309              1344.8662
 Red. masses --      2.5425                 1.7275                 1.8393
 Frc consts  --      2.5621                 1.7959                 1.9600
 IR Inten    --    246.2881               257.6837                 9.7759
 RamAct Fr= 1--     32.5871                 2.8138                 3.7595
  Dep-P Fr= 1--      0.2191                 0.6045                 0.5113
  Dep-U Fr= 1--      0.3594                 0.7535                 0.6766
 Alpha2 Fr= 1--      0.4205                 0.0076                 0.0176
 Beta2  Fr= 1--      1.9521                 0.3534                 0.4240
 AlphaG Fr= 1--      0.1507                 0.0114                 0.0416
 Gamma2 Fr= 1--      1.4994                -0.4545                -2.3207
 Delta2 Fr= 1--     -0.7232                 0.4324                -4.3887
 Raman1 Fr= 1--     130.348                 11.255                 15.038
 ROA1   Fr= 1--     120.802                -29.793               -363.228
 CID1   Fr= 1--       0.927                 -2.647                -24.154
 Raman2 Fr= 1--      23.425                  4.240                  5.088
 ROA2   Fr= 1--      41.772                -14.367                -20.587
 CID2   Fr= 1--       1.783                 -3.388                 -4.047
 Raman3 Fr= 1--      46.850                  8.481                 10.175
 ROA3   Fr= 1--     120.802                -29.793               -363.228
 CID3   Fr= 1--       2.579                 -3.513                -35.698
 RC180  Fr= 1--      -0.281                  0.507                  0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03   0.00     0.00  -0.00  -0.00     0.11   0.01  -0.01
     2   6    -0.11  -0.09   0.02     0.01   0.00  -0.00     0.02  -0.00  -0.00
     3   6     0.02   0.02  -0.00    -0.00  -0.00  -0.00    -0.06   0.04   0.00
     4   6    -0.01   0.00  -0.00     0.00   0.00   0.01    -0.10  -0.03  -0.00
     5   6    -0.00   0.04  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.01   0.09  -0.01    -0.00  -0.01   0.00     0.04   0.01  -0.01
     8   1    -0.28  -0.06   0.04    -0.02  -0.01   0.02     0.14   0.10  -0.03
     9   1     0.24  -0.18  -0.01    -0.03   0.03   0.01    -0.09   0.11  -0.00
    10   1     0.37   0.13  -0.06     0.01   0.00   0.00     0.03  -0.00  -0.01
    11   6     0.02   0.02   0.03    -0.02   0.02  -0.02     0.16  -0.06  -0.04
    12   6     0.00   0.00  -0.02     0.02   0.02  -0.01    -0.06  -0.01   0.05
    13   6    -0.00  -0.01   0.02    -0.02  -0.02   0.19    -0.01   0.01   0.03
    14   1    -0.05  -0.15  -0.18    -0.02  -0.23  -0.27    -0.55   0.52   0.10
    15   1     0.00  -0.04  -0.00    -0.01  -0.08   0.02     0.17   0.07  -0.08
    16   1    -0.01   0.05   0.03    -0.03   0.00  -0.04     0.17  -0.18  -0.04
    17   1     0.01   0.00   0.02     0.01  -0.10  -0.03    -0.06   0.11  -0.04
    18   8    -0.01  -0.00  -0.00     0.05   0.01  -0.03    -0.01  -0.00  -0.01
    19   8     0.00   0.00  -0.01    -0.01  -0.00  -0.13     0.00  -0.00  -0.02
    20   1    -0.01   0.00   0.03    -0.22  -0.03   0.86    -0.03  -0.01   0.14
    21   6     0.03  -0.03  -0.00    -0.00   0.00  -0.00    -0.02  -0.03   0.00
    22   6     0.20  -0.13  -0.01    -0.01   0.01   0.00    -0.02  -0.02   0.00
    23   6     0.02   0.03  -0.01    -0.00  -0.00   0.00    -0.04   0.02   0.00
    24   8    -0.15   0.04   0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
    25   6     0.09   0.01  -0.01    -0.01  -0.00   0.00    -0.00  -0.01   0.00
    26   1    -0.42  -0.03   0.05     0.04   0.01  -0.00    -0.21  -0.07   0.03
    27   1    -0.24   0.23   0.00     0.02  -0.02   0.00    -0.23   0.16   0.01
    28   1     0.15   0.07  -0.02    -0.01  -0.00   0.00     0.10   0.07  -0.02
    29   1    -0.26  -0.02   0.05     0.02  -0.00  -0.01     0.00   0.00   0.00
    30   1    -0.27  -0.02   0.02     0.02  -0.00   0.00     0.00   0.00  -0.01
    31   1     0.08   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.02   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1384.9060              1404.5801              1412.7643
 Red. masses --      2.4156                 2.4699                 1.3958
 Frc consts  --      2.7297                 2.8709                 1.6414
 IR Inten    --     21.4851                 8.3361                 4.8830
 RamAct Fr= 1--     95.0262               108.2416                18.2063
  Dep-P Fr= 1--      0.2029                 0.2030                 0.2335
  Dep-U Fr= 1--      0.3374                 0.3375                 0.3786
 Alpha2 Fr= 1--      1.2805                 1.4583                 0.2259
 Beta2  Fr= 1--      5.3434                 6.0885                 1.1488
 AlphaG Fr= 1--     -0.5127                 0.3457                 0.1454
 Gamma2 Fr= 1--     -0.6696                -0.0239                 2.5903
 Delta2 Fr= 1--      8.9860                 2.7784                 1.9928
 Raman1 Fr= 1--     380.105                432.966                 72.825
 ROA1   Fr= 1--     223.265                 86.616                312.438
 CID1   Fr= 1--       0.587                  0.200                  4.290
 Raman2 Fr= 1--      64.121                 73.062                 13.785
 ROA2   Fr= 1--     -87.959                -22.800                 46.224
 CID2   Fr= 1--      -1.372                 -0.312                  3.353
 Raman3 Fr= 1--     128.241                146.123                 27.570
 ROA3   Fr= 1--     223.265                 86.616                312.438
 CID3   Fr= 1--       1.741                  0.593                 11.332
 RC180  Fr= 1--      -0.325                 -0.325                 -0.243
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.12  -0.01    -0.03  -0.08   0.01     0.01  -0.03   0.00
     2   6    -0.04  -0.05   0.01    -0.07   0.14  -0.01     0.02   0.02  -0.00
     3   6     0.06  -0.08   0.00     0.07   0.00  -0.01    -0.05  -0.02   0.01
     4   6     0.02   0.09  -0.02    -0.03   0.07  -0.01     0.03   0.04  -0.01
     5   6     0.01   0.03  -0.00    -0.05   0.04   0.00     0.04  -0.04  -0.00
     6   6    -0.08  -0.03   0.01     0.00  -0.09   0.01    -0.03   0.01   0.00
     7   6    -0.13  -0.05   0.02     0.10  -0.03  -0.01    -0.04   0.02   0.00
     8   1    -0.00  -0.10   0.01    -0.43  -0.14   0.06     0.12   0.02  -0.01
     9   1     0.32  -0.25  -0.01     0.32  -0.32  -0.00    -0.08   0.08   0.00
    10   1     0.45   0.13  -0.07    -0.00  -0.10   0.01    -0.02   0.02  -0.00
    11   6     0.05  -0.05  -0.01     0.05  -0.04  -0.01    -0.00  -0.00  -0.01
    12   6    -0.02  -0.00   0.02     0.00  -0.05  -0.00     0.03  -0.11  -0.04
    13   6    -0.00   0.00   0.01    -0.01   0.00   0.02    -0.01  -0.00   0.02
    14   1    -0.41   0.27   0.02    -0.25   0.17   0.00    -0.07   0.04  -0.01
    15   1     0.05   0.04  -0.02    -0.07   0.21  -0.02    -0.30   0.46   0.01
    16   1     0.05  -0.06  -0.01    -0.08   0.12   0.13    -0.21   0.34   0.31
    17   1    -0.02   0.02  -0.02     0.03   0.27   0.05     0.09   0.51   0.21
    18   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00  -0.01
    20   1    -0.01  -0.00   0.03    -0.01   0.00   0.05    -0.01  -0.01   0.03
    21   6     0.06  -0.03  -0.00    -0.12   0.09   0.00     0.04  -0.02  -0.00
    22   6     0.09   0.17  -0.03    -0.06  -0.07   0.01     0.02  -0.00  -0.00
    23   6    -0.00  -0.10   0.01     0.17   0.03  -0.02    -0.05  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    25   6    -0.01   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00  -0.00
    26   1     0.24   0.06  -0.03     0.02  -0.06   0.00     0.09   0.06  -0.02
    27   1     0.26  -0.21  -0.01     0.22  -0.22  -0.00    -0.06   0.08  -0.00
    28   1    -0.09  -0.14   0.03    -0.20  -0.08   0.03     0.17   0.05  -0.03
    29   1     0.00  -0.03  -0.03     0.07   0.01  -0.00    -0.04  -0.00   0.00
    30   1     0.01  -0.02   0.04     0.07   0.01  -0.02    -0.04  -0.00   0.01
    31   1    -0.07  -0.08   0.02     0.08   0.14  -0.02    -0.02  -0.05   0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.7581              1454.4901              1480.3465
 Red. masses --      3.3086                 3.8071                 1.2123
 Frc consts  --      3.9073                 4.7453                 1.5653
 IR Inten    --      6.2735                 0.6858                 6.9812
 RamAct Fr= 1--    418.0235               236.6906                10.3330
  Dep-P Fr= 1--      0.1984                 0.2642                 0.4139
  Dep-U Fr= 1--      0.3311                 0.4180                 0.5855
 Alpha2 Fr= 1--      5.7014                 2.6947                 0.0728
 Beta2  Fr= 1--     23.0657                16.4902                 1.0084
 AlphaG Fr= 1--      2.8097                -0.1525                 0.0398
 Gamma2 Fr= 1--      1.4799                 7.4559                -0.6556
 Delta2 Fr= 1--     -7.3289                -0.8584                 0.1901
 Raman1 Fr= 1--    1672.094                946.762                 41.332
 ROA1   Fr= 1--     -92.452                688.301                -56.854
 CID1   Fr= 1--      -0.055                  0.727                 -1.376
 Raman2 Fr= 1--     276.788                197.882                 12.100
 ROA2   Fr= 1--      94.149                185.809                -17.254
 CID2   Fr= 1--       0.340                  0.939                 -1.426
 Raman3 Fr= 1--     553.577                395.764                 24.201
 ROA3   Fr= 1--     -92.452                688.301                -56.854
 CID3   Fr= 1--      -0.167                  1.739                 -2.349
 RC180  Fr= 1--      -0.338                 -0.164                  0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.21  -0.02    -0.17   0.02   0.02    -0.02  -0.00   0.00
     2   6     0.03  -0.19   0.02     0.18  -0.04  -0.02     0.01  -0.01  -0.00
     3   6     0.12   0.06  -0.02     0.14  -0.04  -0.01    -0.02  -0.01   0.00
     4   6    -0.11  -0.16   0.03     0.01   0.16  -0.02     0.03   0.01  -0.00
     5   6    -0.13   0.10   0.00    -0.15  -0.04   0.02     0.01   0.01  -0.00
     6   6     0.14   0.01  -0.02     0.16  -0.00  -0.02    -0.03  -0.00   0.00
     7   6     0.03  -0.06   0.00    -0.10   0.02   0.01    -0.01   0.03  -0.00
     8   1     0.10   0.07  -0.02    -0.45  -0.21   0.07     0.06   0.01  -0.01
     9   1     0.04  -0.08   0.01     0.00  -0.21   0.02     0.05  -0.03  -0.00
    10   1     0.06  -0.03  -0.00    -0.25  -0.14   0.04     0.08   0.03  -0.01
    11   6     0.02   0.02  -0.01     0.03  -0.05   0.00    -0.01   0.00   0.00
    12   6     0.01  -0.07  -0.04    -0.00   0.02   0.02     0.00   0.00  -0.00
    13   6    -0.01  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.25  -0.10   0.01    -0.28   0.13  -0.00    -0.02   0.01   0.00
    15   1    -0.17   0.30  -0.01     0.05  -0.07   0.01    -0.03  -0.01   0.02
    16   1    -0.10   0.24   0.23    -0.03  -0.04  -0.06    -0.00  -0.02  -0.02
    17   1     0.06   0.34   0.16    -0.01  -0.03  -0.08     0.00  -0.00   0.03
    18   8     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.01   0.00   0.03    -0.01   0.01   0.02    -0.00  -0.00   0.00
    21   6    -0.02  -0.03   0.00     0.13   0.03  -0.02     0.04  -0.04  -0.00
    22   6    -0.03   0.06  -0.00    -0.06  -0.16   0.02     0.01  -0.00  -0.00
    23   6     0.00   0.03  -0.00    -0.14   0.06   0.01     0.01   0.01  -0.00
    24   8     0.02  -0.01  -0.00     0.02   0.04  -0.01    -0.04  -0.01   0.01
    25   6    -0.02  -0.01   0.00     0.01  -0.02   0.00    -0.07  -0.06   0.01
    26   1    -0.36  -0.18   0.06     0.14   0.10  -0.03    -0.09   0.01   0.01
    27   1    -0.02  -0.04   0.01    -0.09   0.25  -0.02    -0.15   0.14   0.00
    28   1    -0.35  -0.08   0.05     0.30   0.22  -0.06    -0.04  -0.01   0.01
    29   1     0.07   0.01  -0.01    -0.03   0.05   0.05     0.46   0.27   0.09
    30   1     0.07   0.01  -0.01    -0.05   0.04  -0.05     0.42   0.23  -0.25
    31   1     0.02   0.06  -0.01     0.02  -0.00  -0.00     0.26   0.50  -0.08
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1496.2050              1497.7976              1506.3530
 Red. masses --      1.0465                 1.0488                 1.0590
 Frc consts  --      1.3803                 1.3863                 1.4158
 IR Inten    --      8.0745                11.0270                48.3089
 RamAct Fr= 1--     10.0358                 3.9021                14.8828
  Dep-P Fr= 1--      0.7475                 0.7477                 0.4668
  Dep-U Fr= 1--      0.8555                 0.8556                 0.6365
 Alpha2 Fr= 1--      0.0004                 0.0002                 0.0851
 Beta2  Fr= 1--      1.4309                 0.5565                 1.5788
 AlphaG Fr= 1--      0.0081                 0.0049                -0.0095
 Gamma2 Fr= 1--     -0.6351                 0.9074                 0.3721
 Delta2 Fr= 1--     -0.0108                -0.8959                 0.0724
 Raman1 Fr= 1--      40.143                 15.609                 59.531
 ROA1   Fr= 1--     -61.316                 58.441                 38.041
 CID1   Fr= 1--      -1.527                  3.744                  0.639
 Raman2 Fr= 1--      17.171                  6.678                 18.946
 ROA2   Fr= 1--     -15.156                 28.945                  8.352
 CID2   Fr= 1--      -0.883                  4.335                  0.441
 Raman3 Fr= 1--      34.343                 13.355                 37.891
 ROA3   Fr= 1--     -61.316                 58.441                 38.041
 CID3   Fr= 1--      -1.785                  4.376                  1.004
 RC180  Fr= 1--       0.711                  0.711                  0.273
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     5   6    -0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01  -0.01   0.00
     7   6     0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01     0.02   0.01  -0.00
     9   1    -0.00   0.00   0.00    -0.03   0.02   0.00     0.03  -0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.03  -0.00   0.00     0.04   0.01  -0.01
    11   6    -0.00  -0.00   0.00    -0.02   0.00   0.01    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.03  -0.03   0.03    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.04  -0.07  -0.02     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.55   0.25  -0.33     0.01   0.02  -0.01
    16   1     0.00   0.00   0.00     0.06   0.30   0.38     0.02   0.01   0.02
    17   1    -0.00  -0.00  -0.00    -0.08  -0.13  -0.49    -0.00  -0.01  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.02   0.01   0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    24   8    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.02  -0.01  -0.00
    25   6    -0.01  -0.01  -0.06    -0.00  -0.00   0.00     0.03  -0.04   0.00
    26   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    27   1    -0.00  -0.00  -0.02     0.01  -0.01  -0.00     0.01  -0.01   0.00
    28   1    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.03  -0.01   0.01
    29   1    -0.47   0.10   0.12     0.03   0.01  -0.00    -0.14   0.53   0.34
    30   1     0.48  -0.08   0.02     0.03   0.01  -0.01    -0.23   0.46  -0.40
    31   1     0.08   0.07   0.71     0.02   0.04  -0.01    -0.17  -0.35   0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.1466              1525.0152              1545.9510
 Red. masses --      1.0532                 2.4713                 3.3862
 Frc consts  --      1.4152                 3.3863                 4.7682
 IR Inten    --      8.7097                19.5819                81.9530
 RamAct Fr= 1--      9.8345               117.7591                20.3387
  Dep-P Fr= 1--      0.4045                 0.2763                 0.1792
  Dep-U Fr= 1--      0.5760                 0.4330                 0.3040
 Alpha2 Fr= 1--      0.0717                 1.2950                 0.2917
 Beta2  Fr= 1--      0.9441                 8.4976                 1.0304
 AlphaG Fr= 1--      0.1819                 0.2185                 0.3676
 Gamma2 Fr= 1--      0.0892                 2.7009                 2.5319
 Delta2 Fr= 1--      1.8471                -0.1257                -0.4413
 Raman1 Fr= 1--      39.338                471.037                 81.355
 ROA1   Fr= 1--      67.671                255.264                228.938
 CID1   Fr= 1--       1.720                  0.542                  2.814
 Raman2 Fr= 1--      11.330                101.972                 12.365
 ROA2   Fr= 1--     -12.635                 65.828                 64.295
 CID2   Fr= 1--      -1.115                  0.646                  5.200
 Raman3 Fr= 1--      22.659                203.943                 24.731
 ROA3   Fr= 1--      67.671                255.264                228.938
 CID3   Fr= 1--       2.986                  1.252                  9.257
 RC180  Fr= 1--       0.152                 -0.134                 -0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.06  -0.01   0.01    -0.15  -0.04   0.02
     2   6     0.01  -0.00  -0.00     0.14   0.03  -0.02    -0.11  -0.05   0.02
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03   0.01     0.02  -0.07   0.00
     4   6     0.01   0.01   0.00     0.13  -0.05  -0.01     0.02   0.16  -0.02
     5   6    -0.00  -0.00   0.00    -0.06   0.12  -0.01     0.04  -0.12   0.01
     6   6    -0.00  -0.00  -0.00    -0.13  -0.09   0.02     0.07   0.08  -0.02
     7   6    -0.00  -0.00   0.00     0.06   0.04  -0.01     0.16   0.11  -0.03
     8   1    -0.05  -0.02   0.01     0.27   0.06  -0.04    -0.07  -0.11   0.02
     9   1     0.01  -0.01   0.00     0.39  -0.29  -0.01    -0.20   0.10   0.01
    10   1     0.00  -0.00  -0.00     0.45   0.07  -0.06    -0.25  -0.01   0.03
    11   6    -0.02  -0.00  -0.02    -0.04   0.01   0.01     0.00  -0.03   0.00
    12   6    -0.03   0.01  -0.04    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    14   1     0.02   0.02   0.02     0.01  -0.02  -0.00    -0.13   0.05  -0.01
    15   1    -0.09   0.37  -0.07     0.07   0.01  -0.04     0.02   0.03  -0.01
    16   1     0.64  -0.05   0.21    -0.02   0.03   0.03     0.02   0.01   0.02
    17   1     0.00  -0.42   0.46    -0.01  -0.02  -0.08    -0.00  -0.03  -0.01
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01    -0.01  -0.01   0.01    -0.00   0.01   0.01
    21   6     0.00   0.01  -0.00     0.05  -0.05  -0.00     0.04  -0.16   0.01
    22   6    -0.00  -0.01   0.00    -0.14  -0.02   0.02    -0.09   0.17  -0.01
    23   6    -0.00   0.00  -0.00     0.02   0.05  -0.01     0.10  -0.03  -0.01
    24   8    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.03  -0.02  -0.00
    25   6    -0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1     0.01   0.00  -0.00    -0.23  -0.04   0.03    -0.50  -0.08   0.07
    27   1     0.01   0.00  -0.00    -0.26   0.23   0.01    -0.40   0.22   0.02
    28   1     0.00   0.01  -0.00    -0.12   0.02   0.01    -0.29  -0.15   0.05
    29   1     0.00  -0.01  -0.01    -0.13  -0.18  -0.09    -0.09  -0.07  -0.03
    30   1     0.00  -0.01   0.01    -0.10  -0.16   0.15    -0.08  -0.06   0.07
    31   1     0.00   0.01  -0.00    -0.05  -0.11   0.02    -0.07  -0.13   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.0419              1653.7307              1676.1153
 Red. masses --      6.7411                 5.6835                 6.2586
 Frc consts  --     10.2828                 9.1579                10.3595
 IR Inten    --      9.3939               114.6948                58.0548
 RamAct Fr= 1--     72.7486                 4.3703               283.2638
  Dep-P Fr= 1--      0.5387                 0.6960                 0.3820
  Dep-U Fr= 1--      0.7002                 0.8208                 0.5528
 Alpha2 Fr= 1--      0.2960                 0.0041                 2.2351
 Beta2  Fr= 1--      8.4895                 0.5978                26.0980
 AlphaG Fr= 1--      0.5179                -0.0262                 1.1440
 Gamma2 Fr= 1--     -1.7736                -1.8545                 7.1554
 Delta2 Fr= 1--     -4.0972                -4.4046                -1.5554
 Raman1 Fr= 1--     290.994                 17.481               1133.055
 ROA1   Fr= 1--    -301.374               -318.981                637.148
 CID1   Fr= 1--      -1.036                -18.247                  0.562
 Raman2 Fr= 1--     101.874                  7.174                313.176
 ROA2   Fr= 1--      -9.788                 -9.271                184.173
 CID2   Fr= 1--      -0.096                 -1.292                  0.588
 Raman3 Fr= 1--     203.749                 14.348                626.352
 ROA3   Fr= 1--    -301.374               -318.981                637.148
 CID3   Fr= 1--      -1.479                -22.232                  1.017
 RC180  Fr= 1--       0.400                  0.642                  0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.28  -0.03    -0.01   0.03  -0.00     0.25   0.06  -0.04
     2   6     0.07  -0.27   0.02    -0.03  -0.01   0.00    -0.25  -0.05   0.03
     3   6    -0.13  -0.16   0.03     0.20   0.09  -0.03    -0.22  -0.08   0.04
     4   6     0.08   0.21  -0.03    -0.20  -0.08   0.03     0.15   0.07  -0.03
     5   6     0.15  -0.15  -0.00     0.23  -0.08  -0.02    -0.17   0.05   0.01
     6   6    -0.14   0.09   0.01    -0.22   0.02   0.02     0.23   0.02  -0.03
     7   6     0.13  -0.11  -0.00    -0.21  -0.01   0.03    -0.24  -0.04   0.03
     8   1     0.37  -0.02  -0.04    -0.31  -0.04   0.04     0.34   0.07  -0.05
     9   1    -0.14   0.15  -0.00    -0.18   0.33  -0.02     0.10  -0.21   0.01
    10   1     0.15   0.19  -0.04     0.17   0.15  -0.04    -0.26  -0.13   0.05
    11   6    -0.01  -0.02   0.00     0.03   0.01  -0.01    -0.01  -0.01   0.01
    12   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.01  -0.00   0.01     0.01   0.00  -0.00
    14   1    -0.14   0.05  -0.01     0.09  -0.02   0.01    -0.08   0.02  -0.01
    15   1     0.01   0.00   0.00    -0.02  -0.00   0.00     0.01  -0.00  -0.00
    16   1    -0.04   0.02   0.00     0.01  -0.01  -0.00    -0.02   0.01  -0.00
    17   1     0.00   0.00  -0.04     0.00   0.03   0.03    -0.00  -0.01  -0.02
    18   8    -0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.01  -0.01   0.03
    21   6    -0.19   0.19   0.00     0.20  -0.04  -0.02     0.16  -0.03  -0.02
    22   6    -0.02  -0.24   0.03    -0.21  -0.12   0.04    -0.14  -0.08   0.03
    23   6     0.06   0.16  -0.02     0.22   0.11  -0.04     0.22   0.08  -0.04
    24   8    -0.01   0.02  -0.00     0.02   0.02  -0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00  -0.00     0.02   0.00  -0.00
    26   1    -0.10  -0.19   0.03     0.19   0.12  -0.04     0.29   0.12  -0.05
    27   1     0.25  -0.22  -0.01    -0.14   0.28  -0.01    -0.06   0.18  -0.01
    28   1    -0.21   0.08   0.02    -0.31  -0.04   0.04    -0.29  -0.08   0.04
    29   1    -0.00   0.01   0.01    -0.07  -0.06  -0.02    -0.05  -0.04  -0.02
    30   1    -0.01   0.01  -0.02    -0.06  -0.05   0.05    -0.04  -0.03   0.04
    31   1     0.03   0.03  -0.01     0.00  -0.03   0.00     0.01  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.3318              3010.9878              3045.5518
 Red. masses --     10.0647                 1.0347                 1.0362
 Frc consts  --     19.9530                 5.5267                 5.6625
 IR Inten    --    486.0353                64.9745                12.5647
 RamAct Fr= 1--     20.3634               235.5864               178.5767
  Dep-P Fr= 1--      0.2823                 0.0407                 0.0171
  Dep-U Fr= 1--      0.4402                 0.0782                 0.0336
 Alpha2 Fr= 1--      0.2201                 4.7575                 3.8129
 Beta2  Fr= 1--      1.4942                 3.0715                 0.9992
 AlphaG Fr= 1--      0.3858                 0.4791                 0.2558
 Gamma2 Fr= 1--      1.6944                 1.2408                 1.0618
 Delta2 Fr= 1--      0.3659                -0.7154                 0.4863
 Raman1 Fr= 1--      81.453                942.345                714.307
 ROA1   Fr= 1--     174.368                 96.226                117.491
 CID1   Fr= 1--       2.141                  0.102                  0.164
 Raman2 Fr= 1--      17.930                 36.858                 11.990
 ROA2   Fr= 1--      37.737                 35.503                 21.591
 CID2   Fr= 1--       2.105                  0.963                  1.801
 Raman3 Fr= 1--      35.860                 73.716                 23.980
 ROA3   Fr= 1--     174.368                 96.226                117.491
 CID3   Fr= 1--       4.863                  1.305                  4.900
 RC180  Fr= 1--      -0.120                 -0.844                 -0.933
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.01  -0.02     0.00   0.00  -0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.05  -0.01
    13   6     0.71   0.16   0.06    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.14   0.05   0.12    -0.00  -0.00   0.00    -0.05  -0.08   0.08
    15   1    -0.06   0.06   0.01     0.00   0.00   0.00     0.25   0.10   0.51
    16   1     0.00   0.00   0.02     0.00   0.00  -0.00     0.20   0.46  -0.45
    17   1     0.02   0.03   0.05    -0.00   0.00   0.00    -0.44   0.02   0.05
    18   8    -0.45  -0.10  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.05  -0.01  -0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.09  -0.02   0.44     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   1     0.00   0.00   0.00     0.11  -0.31   0.59    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.02  -0.43  -0.52     0.00   0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.25   0.15   0.01     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.0151              3068.1186              3109.2535
 Red. masses --      1.0830                 1.1060                 1.1017
 Frc consts  --      5.9906                 6.1341                 6.2749
 IR Inten    --      5.6360                34.3698                18.9957
 RamAct Fr= 1--     78.8340                66.3987                48.3580
  Dep-P Fr= 1--      0.3024                 0.7500                 0.3410
  Dep-U Fr= 1--      0.4644                 0.8571                 0.5086
 Alpha2 Fr= 1--      0.8027                 0.0000                 0.4370
 Beta2  Fr= 1--      6.1021                 9.4853                 4.0990
 AlphaG Fr= 1--      1.6261                 0.0203                -1.3857
 Gamma2 Fr= 1--     -3.5936                 2.4651                 2.6649
 Delta2 Fr= 1--      1.2006                 1.9243                -0.0994
 Raman1 Fr= 1--     315.336                265.595                193.432
 ROA1   Fr= 1--    -306.566                298.225                252.651
 CID1   Fr= 1--      -0.972                  1.123                  1.306
 Raman2 Fr= 1--      73.225                113.824                 49.188
 ROA2   Fr= 1--     -95.850                 43.768                 64.753
 CID2   Fr= 1--      -1.309                  0.385                  1.316
 Raman3 Fr= 1--     146.449                227.647                 98.376
 ROA3   Fr= 1--    -306.566                298.225                252.651
 CID3   Fr= 1--      -2.093                  1.310                  2.568
 RC180  Fr= 1--      -0.071                  0.714                  0.017
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01   0.04  -0.00
     9   1     0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.03   0.05  -0.05    -0.00  -0.00   0.00     0.01   0.01  -0.01
    12   6    -0.01   0.00   0.02     0.00  -0.00   0.00     0.01   0.03  -0.09
    13   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.39  -0.63   0.63     0.00   0.00  -0.00    -0.08  -0.13   0.12
    15   1    -0.08  -0.03  -0.15     0.00   0.00   0.00     0.30   0.13   0.56
    16   1     0.02   0.04  -0.04     0.00   0.00  -0.00    -0.21  -0.49   0.46
    17   1     0.14  -0.01  -0.01    -0.00   0.00   0.00    -0.19   0.02   0.00
    18   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    23   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.09     0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00     0.13  -0.35   0.60     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.01   0.47   0.53     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.1829              3137.9212              3164.5384
 Red. masses --      1.1022                 1.0990                 1.0866
 Frc consts  --      6.3505                 6.3758                 6.4109
 IR Inten    --     14.9032                22.8755                 3.1473
 RamAct Fr= 1--    115.3388               170.3654                67.1506
  Dep-P Fr= 1--      0.5391                 0.4239                 0.6203
  Dep-U Fr= 1--      0.7005                 0.5954                 0.7656
 Alpha2 Fr= 1--      0.4683                 1.1559                 0.1593
 Beta2  Fr= 1--     13.4662                16.9073                 8.5687
 AlphaG Fr= 1--      0.4212                -0.1780                -0.0148
 Gamma2 Fr= 1--     -4.4754                -0.9678                -0.1184
 Delta2 Fr= 1--      4.4240                -0.9700                 1.8815
 Raman1 Fr= 1--     461.355                681.462                268.603
 ROA1   Fr= 1--    -288.072               -123.945                 48.843
 CID1   Fr= 1--      -0.624                 -0.182                  0.182
 Raman2 Fr= 1--     161.594                202.888                102.825
 ROA2   Fr= 1--    -142.802                -15.466                -17.893
 CID2   Fr= 1--      -0.884                 -0.076                 -0.174
 Raman3 Fr= 1--     323.188                405.776                205.650
 ROA3   Fr= 1--    -288.072               -123.945                 48.843
 CID3   Fr= 1--      -0.891                 -0.305                  0.238
 RC180  Fr= 1--       0.401                  0.191                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.05   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.01  -0.02   0.00
     9   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.55   0.58  -0.13
    10   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.16  -0.55   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1     0.02   0.03  -0.03    -0.00  -0.00   0.00     0.01   0.01  -0.01
    15   1     0.19   0.08   0.41    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.04   0.12  -0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1     0.86  -0.06  -0.10    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.03  -0.00
    29   1     0.00  -0.00   0.00     0.02  -0.08   0.17     0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00    -0.02  -0.11  -0.15    -0.00  -0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.83  -0.48  -0.05     0.00  -0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3171.0395              3178.0131              3182.4575
 Red. masses --      1.0892                 1.0888                 1.0946
 Frc consts  --      6.4529                 6.4790                 6.5319
 IR Inten    --      3.9443                11.7276                 9.2907
 RamAct Fr= 1--     37.0807                58.2985               136.1355
  Dep-P Fr= 1--      0.4526                 0.3849                 0.1791
  Dep-U Fr= 1--      0.6231                 0.5559                 0.3039
 Alpha2 Fr= 1--      0.2249                 0.4553                 1.9528
 Beta2  Fr= 1--      3.8511                 5.4014                 6.8944
 AlphaG Fr= 1--      0.0582                 0.1059                 0.0142
 Gamma2 Fr= 1--      0.4540                 0.6750                -1.1007
 Delta2 Fr= 1--     -0.5830                 1.1599                -1.1708
 Raman1 Fr= 1--     148.323                233.194                544.542
 ROA1   Fr= 1--      24.928                101.920               -143.130
 CID1   Fr= 1--       0.168                  0.437                 -0.263
 Raman2 Fr= 1--      46.214                 64.817                 82.733
 ROA2   Fr= 1--      15.560                  6.922                -17.049
 CID2   Fr= 1--       0.337                  0.107                 -0.206
 Raman3 Fr= 1--      92.427                129.633                165.465
 ROA3   Fr= 1--      24.928                101.920               -143.130
 CID3   Fr= 1--       0.270                  0.786                 -0.865
 RC180  Fr= 1--       0.246                  0.112                 -0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.01   0.02  -0.00     0.02  -0.08   0.00    -0.00   0.01  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.03   0.01
     6   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.07   0.00
     7   6     0.02  -0.08   0.01     0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1     0.07  -0.24   0.01    -0.27   0.91  -0.05     0.04  -0.14   0.01
     9   1    -0.01  -0.01   0.00     0.07   0.08  -0.02     0.38   0.40  -0.09
    10   1     0.00  -0.01   0.00    -0.03   0.10  -0.01    -0.23   0.75  -0.05
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.01  -0.01
    15   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.01   0.01     0.02   0.04  -0.03    -0.00  -0.00   0.00
    17   1    -0.01   0.00   0.00     0.02  -0.00  -0.00    -0.00  -0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.27   0.91  -0.06    -0.07   0.23  -0.02     0.00  -0.01   0.00
    27   1    -0.11  -0.13   0.03    -0.03  -0.04   0.01     0.00   0.01  -0.00
    28   1    -0.01   0.04  -0.00    -0.00   0.01  -0.00     0.06  -0.20   0.01
    29   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9464              3216.3957              3679.3945
 Red. masses --      1.0905                 1.0911                 1.0651
 Frc consts  --      6.5337                 6.6508                 8.4957
 IR Inten    --      5.6399                 6.5028               204.1033
 RamAct Fr= 1--    157.0695               134.9164               202.8884
  Dep-P Fr= 1--      0.2297                 0.2300                 0.2713
  Dep-U Fr= 1--      0.3736                 0.3740                 0.4268
 Alpha2 Fr= 1--      1.9692                 1.6901                 2.2637
 Beta2  Fr= 1--      9.7794                 8.4092                14.4315
 AlphaG Fr= 1--     -0.2061                 0.1516                 3.9398
 Gamma2 Fr= 1--     -2.5243                 1.6162                41.6199
 Delta2 Fr= 1--     -0.7379                 0.6634                 6.2024
 Raman1 Fr= 1--     628.278                539.665                811.554
 ROA1   Fr= 1--    -265.944                176.384               4193.990
 CID1   Fr= 1--      -0.423                  0.327                  5.168
 Raman2 Fr= 1--     117.353                100.910                173.179
 ROA2   Fr= 1--     -54.680                 33.481                949.259
 CID2   Fr= 1--      -0.466                  0.332                  5.481
 Raman3 Fr= 1--     234.706                201.820                346.357
 ROA3   Fr= 1--    -265.944                176.384               4193.990
 CID3   Fr= 1--      -1.133                  0.874                 12.109
 RC180  Fr= 1--      -0.253                 -0.252                 -0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.03   0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.05   0.18  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01  -0.01
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.96   0.15   0.21
    21   6    -0.00   0.00   0.00    -0.06  -0.06   0.01    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.08   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.00    -0.05   0.17  -0.01    -0.00   0.00  -0.00
    27   1     0.00   0.00  -0.00     0.65   0.71  -0.15     0.00   0.00  -0.00
    28   1    -0.30   0.92  -0.06    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1250.191378874.316409286.09398
           X            0.99994  -0.00027  -0.01089
           Y            0.00030   1.00000   0.00290
           Z            0.01089  -0.00290   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06928     0.00976     0.00933
 Rotational constants (GHZ):           1.44357     0.20337     0.19435
 Zero-point vibrational energy     658483.7 (Joules/Mol)
                                  157.38137 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.13    56.45    66.43   107.94   181.84
          (Kelvin)            194.72   262.73   310.98   323.34   347.92
                              374.47   400.62   446.60   498.02   561.55
                              600.18   633.28   656.26   697.45   770.78
                              814.49   823.69   861.97   894.91   926.70
                              994.26  1029.80  1080.56  1107.52  1128.65
                             1170.69  1180.90  1204.33  1229.81  1293.18
                             1320.89  1350.34  1367.35  1403.86  1409.20
                             1457.78  1539.00  1550.13  1570.33  1676.10
                             1687.05  1699.87  1709.17  1720.98  1725.80
                             1735.65  1816.64  1867.03  1875.83  1881.66
                             1911.17  1934.96  1992.57  2020.88  2032.65
                             2036.96  2092.69  2129.89  2152.71  2155.00
                             2167.31  2172.76  2194.16  2224.28  2315.05
                             2379.35  2411.56  2639.19  4332.14  4381.87
                             4408.43  4414.34  4473.52  4499.32  4514.77
                             4553.06  4562.42  4572.45  4578.85  4588.18
                             4627.68  5293.83
 
 Zero-point correction=                           0.250803 (Hartree/Particle)
 Thermal correction to Energy=                    0.266010
 Thermal correction to Enthalpy=                  0.266954
 Thermal correction to Gibbs Free Energy=         0.206996
 Sum of electronic and zero-point Energies=           -767.719224
 Sum of electronic and thermal Energies=              -767.704017
 Sum of electronic and thermal Enthalpies=            -767.703073
 Sum of electronic and thermal Free Energies=         -767.763031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.924             58.559            126.192
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.999
 Vibrational            165.147             52.597             50.992
 Vibration     1          0.593              1.985              6.355
 Vibration     2          0.594              1.981              5.297
 Vibration     3          0.595              1.979              4.975
 Vibration     4          0.599              1.966              4.017
 Vibration     5          0.611              1.927              3.000
 Vibration     6          0.613              1.918              2.869
 Vibration     7          0.630              1.863              2.302
 Vibration     8          0.645              1.816              1.991
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.658              1.776              1.789
 Vibration    11          0.668              1.745              1.660
 Vibration    12          0.679              1.713              1.543
 Vibration    13          0.699              1.654              1.360
 Vibration    14          0.724              1.583              1.184
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.800              1.383              0.826
 Vibration    18          0.814              1.347              0.777
 Vibration    19          0.841              1.284              0.697
 Vibration    20          0.891              1.171              0.575
 Vibration    21          0.922              1.105              0.512
 Vibration    22          0.929              1.091              0.499
 Vibration    23          0.957              1.034              0.451
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.614271D-95        -95.211640       -219.232902
 Total V=0       0.141161D+21         20.149713         46.396429
 Vib (Bot)       0.123234-109       -109.909270       -253.075447
 Vib (Bot)    1  0.899538D+01          0.954020          2.196712
 Vib (Bot)    2  0.527403D+01          0.722142          1.662794
 Vib (Bot)    3  0.447897D+01          0.651178          1.499392
 Vib (Bot)    4  0.274721D+01          0.438892          1.010586
 Vib (Bot)    5  0.161450D+01          0.208037          0.479023
 Vib (Bot)    6  0.150429D+01          0.177332          0.408322
 Vib (Bot)    7  0.109894D+01          0.040972          0.094342
 Vib (Bot)    8  0.916617D+00         -0.037812         -0.087065
 Vib (Bot)    9  0.878418D+00         -0.056299         -0.129632
 Vib (Bot)   10  0.810202D+00         -0.091407         -0.210472
 Vib (Bot)   11  0.746164D+00         -0.127165         -0.292809
 Vib (Bot)   12  0.691047D+00         -0.160492         -0.369548
 Vib (Bot)   13  0.609046D+00         -0.215350         -0.495861
 Vib (Bot)   14  0.534342D+00         -0.272181         -0.626720
 Vib (Bot)   15  0.459887D+00         -0.337348         -0.776773
 Vib (Bot)   16  0.421847D+00         -0.374845         -0.863112
 Vib (Bot)   17  0.392706D+00         -0.405933         -0.934695
 Vib (Bot)   18  0.374093D+00         -0.427021         -0.983252
 Vib (Bot)   19  0.343606D+00         -0.463939         -1.068259
 Vib (Bot)   20  0.296941D+00         -0.527330         -1.214222
 Vib (Bot)   21  0.272916D+00         -0.563971         -1.298592
 Vib (Bot)   22  0.268171D+00         -0.571588         -1.316131
 Vib (Bot)   23  0.249472D+00         -0.602978         -1.388407
 Vib (V=0)       0.283193D+06          5.452083         12.553884
 Vib (V=0)    1  0.950927D+01          0.978147          2.252267
 Vib (V=0)    2  0.579768D+01          0.763254          1.757457
 Vib (V=0)    3  0.500679D+01          0.699559          1.610795
 Vib (V=0)    4  0.329234D+01          0.517505          1.191599
 Vib (V=0)    5  0.219015D+01          0.340473          0.783969
 Vib (V=0)    6  0.208521D+01          0.319150          0.734870
 Vib (V=0)    7  0.170734D+01          0.232319          0.534934
 Vib (V=0)    8  0.154412D+01          0.188681          0.434454
 Vib (V=0)    9  0.151075D+01          0.179193          0.412607
 Vib (V=0)   10  0.145206D+01          0.161986          0.372986
 Vib (V=0)   11  0.139820D+01          0.145569          0.335185
 Vib (V=0)   12  0.135296D+01          0.131286          0.302297
 Vib (V=0)   13  0.128800D+01          0.109914          0.253087
 Vib (V=0)   14  0.123179D+01          0.090538          0.208471
 Vib (V=0)   15  0.117934D+01          0.071637          0.164951
 Vib (V=0)   16  0.115418D+01          0.062275          0.143393
 Vib (V=0)   17  0.113578D+01          0.055295          0.127321
 Vib (V=0)   18  0.112446D+01          0.050942          0.117299
 Vib (V=0)   19  0.110668D+01          0.044024          0.101368
 Vib (V=0)   20  0.108153D+01          0.034037          0.078374
 Vib (V=0)   21  0.106963D+01          0.029235          0.067317
 Vib (V=0)   22  0.106738D+01          0.028317          0.065203
 Vib (V=0)   23  0.105878D+01          0.024806          0.057118
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.363344D+07          6.560318         15.105690
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          211111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     7          188776320664 1                              3750421099851108420096099887697717753195321875194297638541941764218327432
     9          692815879846 1                              4649650686046355588483696813517039609895714401614292665607060802563565693
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X                       X                              XXX X  X         XX  X   XX    X                  X                      
     X                       X                              X X X            XX  X   X                                               
     X                                                      X X              XX  X                                                   
     X                                                      X X              XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
     X                                                      X                XX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000003989    0.000000933    0.000000255
      2        6          -0.000000638   -0.000003676   -0.000000822
      3        6           0.000002610    0.000002077    0.000002020
      4        6           0.000002542   -0.000000633    0.000001022
      5        6          -0.000001957    0.000002452    0.000000269
      6        6           0.000002914    0.000001914   -0.000000990
      7        6           0.000002722   -0.000000080    0.000000028
      8        1          -0.000003078   -0.000000525   -0.000000544
      9        1           0.000001014   -0.000002837   -0.000001342
     10        1          -0.000001199   -0.000000977   -0.000002388
     11        6          -0.000005195   -0.000007918    0.000003084
     12        6           0.000002077   -0.000005763   -0.000004593
     13        6          -0.000000020    0.000006701    0.000006038
     14        1           0.000002953   -0.000000183    0.000002162
     15        1           0.000000336   -0.000000440    0.000003193
     16        1           0.000000715    0.000000715    0.000000900
     17        1           0.000000735   -0.000002420    0.000001127
     18        8           0.000001437   -0.000000889   -0.000002398
     19        8          -0.000001258   -0.000003545   -0.000011200
     20        1           0.000000343    0.000003619    0.000001786
     21        6          -0.000002548    0.000006966    0.000000459
     22        6          -0.000004130   -0.000007543    0.000001107
     23        6           0.000004440    0.000004096   -0.000001286
     24        8           0.000001019    0.000002648   -0.000000970
     25        6           0.000002715    0.000001410    0.000000115
     26        1          -0.000001586    0.000000963    0.000001348
     27        1          -0.000002940   -0.000000216    0.000001671
     28        1           0.000000138   -0.000000059   -0.000001050
     29        1           0.000000179    0.000001560    0.000000512
     30        1           0.000000060    0.000000515    0.000000474
     31        1          -0.000000412    0.000001134    0.000000011
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011200 RMS     0.000002860
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.302358D+03  0.134869D+02 -0.155743D+02
      2   0.134869D+02  0.171208D+03 -0.536301D+01
      3  -0.155743D+02 -0.536301D+01  0.116972D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.956553D+01 -0.284682D+02  0.121656D+02
      2   0.766998D+02  0.160865D+02  0.140470D+02
      3   0.412689D+02  0.527201D+02 -0.200499D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.323074D+03 -0.398758D+02  0.863563D+02
      2   0.152199D+03  0.205795D+02 -0.435571D+02
      3   0.170875D+03  0.192963D+02 -0.427992D+02
      4  -0.504208D+02 -0.113074D+03  0.383396D+02
      5   0.200488D+02  0.423738D+02  0.368284D+02
      6   0.112855D+02 -0.682394D+02 -0.332369D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.400635D+02  0.896475D+01 -0.375928D+01 -0.448530D+02 -0.585631D+01
      2   0.896475D+01  0.503933D+01 -0.174566D+01 -0.585631D+01 -0.540971D+01
      3  -0.375928D+01 -0.174566D+01 -0.835023D-02  0.495738D+01  0.100664D+01
                 6             7             8             9            10 
      1   0.495738D+01  0.853392D+00 -0.379770D+00  0.124653D+01 -0.322777D+02
      2   0.100664D+01 -0.379770D+00 -0.190308D+00 -0.790156D+00 -0.738905D+01
      3  -0.584081D+00  0.124653D+01 -0.790156D+00  0.139270D+00  0.286369D+01
                11            12            13            14            15 
      1  -0.738905D+01  0.286369D+01  0.492237D+02  0.710240D+01 -0.561322D+01
      2  -0.104240D+01  0.497939D+00  0.710240D+01  0.715242D+01 -0.165434D+01
      3   0.497939D+00 -0.435654D+00 -0.561322D+01 -0.165434D+01  0.588877D+00
                16            17            18            19            20 
      1  -0.115356D+01  0.206907D+00 -0.541105D+00 -0.467339D+02 -0.101219D+02
      2   0.206907D+00 -0.378025D+00  0.992647D+00 -0.101219D+02 -0.987026D+01
      3  -0.541105D+00  0.992647D+00 -0.275704D+00  0.363102D+01  0.171353D+01
                21            22            23            24            25 
      1   0.363102D+01 -0.179041D+02 -0.187692D+01  0.128411D+00  0.754383D+01
      2   0.171353D+01 -0.187692D+01 -0.615100D+01  0.512148D+00  0.145761D+00
      3  -0.628993D+00  0.128411D+00  0.512148D+00 -0.205900D+01  0.229305D+00
                26            27            28            29            30 
      1   0.145761D+00  0.229305D+00  0.498323D+02  0.512658D+01 -0.720654D+00
      2   0.112258D+01 -0.409715D+01  0.512658D+01  0.452903D+01 -0.645303D+00
      3  -0.409715D+01  0.639704D+00 -0.720654D+00 -0.645303D+00  0.209998D+01
                31            32            33            34            35 
      1   0.709106D+01  0.199542D+01 -0.358580D-03 -0.386880D+01 -0.395636D-01
      2   0.199542D+01  0.163813D+02 -0.277584D+01 -0.395636D-01 -0.290075D+01
      3  -0.358580D-03 -0.277584D+01  0.427324D+00  0.652299D+01  0.134520D+01
                36            37            38            39            40 
      1   0.652299D+01  0.823396D+01 -0.201927D+01 -0.232088D+00  0.787055D+01
      2   0.134520D+01 -0.201927D+01  0.132050D+02 -0.133481D+01  0.182478D+01
      3  -0.145799D+01 -0.232088D+00 -0.133481D+01  0.178857D+01  0.472579D+00
                41            42            43            44            45 
      1   0.182478D+01  0.472579D+00 -0.870088D+00  0.104155D+01  0.478832D+01
      2  -0.910796D+01  0.155711D+01  0.104155D+01 -0.439645D+00  0.208678D+01
      3   0.155711D+01  0.662204D+00  0.478832D+01  0.208678D+01 -0.239645D+01
                46            47            48            49            50 
      1  -0.136589D+02  0.223179D+01  0.160944D+01  0.237723D+00  0.245599D+01
      2   0.223179D+01 -0.940092D+01  0.194747D+01  0.245599D+01  0.557580D+00
      3   0.160944D+01  0.194747D+01 -0.167036D+01 -0.194212D+00  0.385748D+00
                51            52            53            54            55 
      1  -0.194212D+00  0.144737D+01 -0.912833D-02 -0.156842D+01  0.433658D+01
      2   0.385748D+00 -0.912833D-02  0.214503D+01  0.423543D+01 -0.335251D+01
      3   0.139000D+01 -0.156842D+01  0.423543D+01 -0.816602D+00 -0.241767D+00
                56            57            58            59            60 
      1  -0.335251D+01 -0.241767D+00 -0.203335D+01 -0.376664D+01  0.281856D+00
      2   0.543224D+01 -0.286056D+00 -0.376664D+01 -0.252920D+01  0.905419D-01
      3  -0.286056D+00  0.163656D+01  0.281856D+00  0.905419D-01 -0.136108D+01
                61            62            63            64            65 
      1  -0.278832D+00  0.320290D+00  0.458974D+00  0.576489D+00 -0.186446D+01
      2   0.320290D+00 -0.138024D+01 -0.418009D+01 -0.186446D+01  0.824380D+00
      3   0.458974D+00 -0.418009D+01  0.542643D+00  0.458522D-02  0.189927D+00
                66            67            68            69            70 
      1   0.458522D-02 -0.274105D+01  0.277665D+01  0.914232D-01 -0.185314D+00
      2   0.189927D+00  0.277665D+01 -0.640802D+01 -0.220909D-01  0.110871D+00
      3   0.420720D-01  0.914232D-01 -0.220909D-01 -0.699875D+00 -0.953369D-01
                71            72            73            74            75 
      1   0.110871D+00 -0.953369D-01  0.607292D+01  0.331117D+01 -0.108309D+01
      2   0.478739D+00  0.221341D-01  0.331117D+01  0.329193D+01 -0.762481D+00
      3   0.221341D-01 -0.148557D-01 -0.108309D+01 -0.762481D+00  0.724583D+00
                76            77            78            79            80 
      1   0.392411D+01  0.432583D+01 -0.976802D+00 -0.136406D+01 -0.885744D+00
      2   0.432583D+01  0.523350D+01 -0.108141D+01 -0.885744D+00 -0.854750D+00
      3  -0.976802D+00 -0.108141D+01  0.959928D+00 -0.235311D+00  0.507794D+00
                81            82            83            84            85 
      1  -0.235311D+00 -0.996731D+00  0.154778D+01 -0.829173D-01  0.706709D+00
      2   0.507794D+00  0.154778D+01 -0.221773D+01  0.985930D-01 -0.134028D+01
      3  -0.165143D+00 -0.829173D-01  0.985930D-01 -0.199296D+00  0.219561D+00
                86            87            88            89            90 
      1  -0.134028D+01  0.219561D+00 -0.839926D-02 -0.653893D-01  0.152426D+00
      2   0.106328D+02 -0.106565D+01 -0.653893D-01 -0.101509D+01  0.223652D+00
      3  -0.106565D+01  0.103054D+01  0.152426D+00  0.223652D+00 -0.146714D+00
                91            92            93            94            95 
      1  -0.214183D+02 -0.302675D+01 -0.186425D+01 -0.138221D+01 -0.199648D+01
      2  -0.302675D+01 -0.854701D+00 -0.266429D+00 -0.199648D+01  0.127981D+01
      3  -0.186425D+01 -0.266429D+00 -0.291858D+01  0.400121D+00  0.316153D+01
                96            97            98            99           100 
      1   0.400121D+00 -0.723766D+01 -0.611545D+00 -0.585649D+01 -0.721555D+01
      2   0.316153D+01 -0.611545D+00  0.217693D+01 -0.165413D+01  0.151110D+01
      3  -0.615904D+00 -0.585649D+01 -0.165413D+01 -0.427473D+00  0.175801D+01
               101           102           103           104           105 
      1   0.151110D+01  0.175801D+01 -0.160462D+01  0.219213D+01  0.597301D+00
      2   0.165887D+01  0.716300D+00  0.219213D+01 -0.149656D+01 -0.325621D+01
      3   0.716300D+00  0.340249D+01  0.597301D+00 -0.325621D+01  0.101081D+01
               106           107           108           109           110 
      1   0.200343D+01  0.771700D+00  0.234136D+01 -0.433590D+01 -0.120853D+01
      2   0.771700D+00 -0.238976D+01  0.236582D+01 -0.120853D+01 -0.557997D+00
      3   0.234136D+01  0.236582D+01  0.309120D+01 -0.245080D+00 -0.452793D+00
               111           112           113           114           115 
      1  -0.245080D+00 -0.133119D+01  0.628947D+00  0.441174D-02  0.123506D+02
      2  -0.452793D+00  0.628947D+00 -0.237426D+00 -0.147068D+00  0.446825D+00
      3   0.710323D+00  0.441174D-02 -0.147068D+00  0.444213D+00  0.535008D+01
               116           117           118           119           120 
      1   0.446825D+00  0.535008D+01  0.382469D+01  0.178942D+01 -0.152216D+01
      2   0.249974D+00  0.345477D+00  0.178942D+01  0.100112D+01 -0.513939D+00
      3   0.345477D+00  0.211503D+00 -0.152216D+01 -0.513939D+00  0.165351D+01
               121           122           123           124           125 
      1   0.562300D+01  0.167729D+01 -0.109875D+01 -0.228068D+01 -0.518430D+00
      2   0.167729D+01  0.247518D+01 -0.192852D+01 -0.518430D+00 -0.187654D+01
      3  -0.109875D+01 -0.192852D+01  0.180637D+01  0.248300D+01  0.160561D+01
               126           127           128           129           130 
      1   0.248300D+01 -0.780523D+00 -0.226398D+00 -0.117008D+01  0.379120D+00
      2   0.160561D+01 -0.226398D+00 -0.107811D+01 -0.943754D+00 -0.325254D+00
      3  -0.335989D+01 -0.117008D+01 -0.943754D+00 -0.253520D+01 -0.111937D+00
               131           132           133           134           135 
      1  -0.325254D+00 -0.111937D+00 -0.171667D+01  0.313070D+00 -0.399360D+00
      2  -0.103957D+01 -0.954132D+00  0.313070D+00 -0.186617D+01 -0.245715D+01
      3  -0.954132D+00 -0.128476D+01 -0.399360D+00 -0.245715D+01 -0.713407D+01
               136           137           138           139           140 
      1   0.437146D+00 -0.639556D+00  0.292382D+00 -0.131601D+01  0.379054D+00
      2  -0.639556D+00 -0.915327D+00  0.931115D-01  0.379054D+00 -0.429509D+01
      3   0.292382D+00  0.931115D-01 -0.752706D+00  0.463504D-01  0.147281D+01
               141           142           143           144           145 
      1   0.463504D-01  0.114632D+01 -0.634919D+00 -0.275596D+00  0.119859D+02
      2   0.147281D+01 -0.634919D+00  0.284616D+01 -0.145942D+01 -0.307042D+01
      3  -0.160863D+01 -0.275596D+00 -0.145942D+01  0.174027D+01 -0.217643D+01
               146           147           148           149           150 
      1  -0.307042D+01 -0.217643D+01 -0.165057D+01  0.128164D+01  0.150822D+00
      2   0.188745D+01  0.748959D+00  0.128164D+01 -0.494071D+00  0.753201D-02
      3   0.748959D+00  0.152493D+01  0.150822D+00  0.753201D-02 -0.123484D+00
               151           152           153           154           155 
      1  -0.135198D+01  0.233623D+00  0.123461D+01  0.193669D+02  0.270377D+01
      2   0.233623D+00  0.577495D-01 -0.542215D+00  0.270377D+01  0.234246D+01
      3   0.123461D+01 -0.542215D+00 -0.943753D+00  0.149538D+01  0.681504D+00
               156           157           158           159           160 
      1   0.149538D+01  0.359971D+01  0.419387D+01  0.253052D+00  0.231858D+01
      2   0.681504D+00  0.419387D+01  0.202761D+01  0.462013D+00  0.536270D+00
      3   0.313642D+01  0.253052D+00  0.462013D+00  0.390113D+00  0.284792D+01
               161           162           163           164           165 
      1   0.536270D+00  0.284792D+01  0.132528D+02  0.477528D+00  0.490519D+01
      2  -0.103514D+00  0.642369D+00  0.477528D+00 -0.554776D+00 -0.246190D+00
      3   0.642369D+00  0.592518D+00  0.490519D+01 -0.246190D+00  0.110904D+01
               166           167           168           169           170 
      1   0.223101D+01 -0.371394D+00  0.416204D+00  0.136760D+01 -0.453685D+00
      2  -0.371394D+00 -0.332493D+00  0.120007D+01 -0.453685D+00  0.632952D+00
      3   0.416204D+00  0.120007D+01 -0.263979D-01  0.481107D+00  0.182603D+00
               171           172           173           174           175 
      1   0.481107D+00 -0.114368D+02  0.112915D-01 -0.298180D+01 -0.128197D+01
      2   0.182603D+00  0.112915D-01 -0.492531D-01  0.159708D+00  0.335642D+00
      3   0.675769D+01 -0.298180D+01  0.159708D+00 -0.316287D+01 -0.386498D+00
               176           177           178           179           180 
      1   0.335642D+00 -0.386498D+00 -0.752629D+01  0.231299D-01 -0.306450D+01
      2  -0.116738D+00  0.640836D+00  0.231299D-01  0.110067D+01 -0.160711D+00
      3   0.640836D+00 -0.552653D+00 -0.306450D+01 -0.160711D+00 -0.283789D+00
               181           182           183           184           185 
      1  -0.578357D+01  0.132964D+01 -0.153070D+00 -0.141667D+02 -0.283001D+01
      2   0.132964D+01 -0.993654D+01  0.740866D-02 -0.283001D+01  0.529962D+01
      3  -0.153070D+00  0.740866D-02 -0.171787D+01  0.121938D+01 -0.337535D+00
               186           187           188           189           190 
      1   0.121938D+01  0.108443D+01 -0.630808D+00 -0.435340D+01 -0.378201D+02
      2  -0.337535D+00 -0.630808D+00  0.772719D-01 -0.260554D+01 -0.543877D+01
      3  -0.113436D+01 -0.435340D+01 -0.260554D+01  0.178136D+01  0.313246D+01
               191           192           193           194           195 
      1  -0.543877D+01  0.313246D+01 -0.111303D+01 -0.229381D+01 -0.703277D+00
      2  -0.894163D+01  0.105547D+01 -0.229381D+01 -0.125335D+02  0.930805D+00
      3   0.105547D+01 -0.290743D+01 -0.703277D+00  0.930805D+00  0.377168D+00
               196           197           198           199           200 
      1   0.295718D+01  0.783302D-01 -0.715417D+01  0.368539D+02  0.963039D+01
      2   0.783302D-01  0.224097D+01 -0.831056D+00  0.963039D+01  0.756287D+01
      3  -0.715417D+01 -0.831056D+00  0.180904D+01 -0.403874D+01 -0.734366D+00
               201           202           203           204           205 
      1  -0.403874D+01  0.162253D+02  0.340296D+01 -0.176702D+01 -0.621445D+01
      2  -0.734366D+00  0.340296D+01  0.595845D+01 -0.165517D+00 -0.952913D+00
      3   0.580621D+00 -0.176702D+01 -0.165517D+00  0.195220D+01  0.390750D+00
               206           207           208           209           210 
      1  -0.952913D+00  0.390750D+00  0.920645D+01  0.381054D+01 -0.153919D+01
      2  -0.540270D+00  0.477450D+01  0.381054D+01  0.321729D+01 -0.739846D+00
      3   0.477450D+01 -0.126978D+01 -0.153919D+01 -0.739846D+00 -0.108671D+00
               211           212           213           214           215 
      1  -0.164856D+01 -0.312272D+01  0.399850D+00 -0.826434D+00 -0.391349D-01
      2  -0.312272D+01  0.147606D+01  0.197712D+00 -0.391349D-01 -0.377598D+00
      3   0.399850D+00  0.197712D+00 -0.802886D+00 -0.480106D-01  0.794547D+00
               216           217           218           219           220 
      1  -0.480106D-01 -0.863043D+00 -0.432261D+01  0.858793D+00 -0.431796D+01
      2   0.794547D+00 -0.432261D+01 -0.736252D+00  0.114130D+01  0.260700D+01
      3  -0.640840D-02  0.858793D+00  0.114130D+01  0.446774D-02  0.118670D+01
               221           222           223           224           225 
      1   0.260700D+01  0.118670D+01  0.105668D+01  0.100567D+01  0.186690D+01
      2   0.144740D+01  0.670950D+00  0.100567D+01  0.870794D+00  0.409271D+01
      3   0.670950D+00  0.542463D+01  0.186690D+01  0.409271D+01 -0.192464D+01
               226           227           228           229           230 
      1   0.590560D+00 -0.145806D+01  0.816298D-01 -0.489644D+00  0.753812D+00
      2  -0.145806D+01  0.200162D+01 -0.907673D-02  0.753812D+00 -0.961073D+01
      3   0.816298D-01 -0.907673D-02  0.160798D+00 -0.116535D+00  0.704968D+00
               231           232           233           234           235 
      1  -0.116535D+00 -0.236226D-01  0.725885D-01 -0.924520D-01 -0.703498D+01
      2   0.704968D+00  0.725885D-01  0.825870D+00 -0.130889D+00 -0.304730D+01
      3  -0.911975D+00 -0.924520D-01 -0.130889D+00  0.116658D+00  0.111858D+01
               236           237           238           239           240 
      1  -0.304730D+01  0.111858D+01 -0.443244D+01 -0.432913D+01  0.900943D+00
      2  -0.266597D+01  0.557239D+00 -0.432913D+01 -0.473304D+01  0.887463D+00
      3   0.557239D+00 -0.503288D+00  0.900943D+00  0.887463D+00 -0.798608D+00
               241           242           243           244           245 
      1   0.142922D+01  0.849678D+00  0.251391D+00 -0.126194D+01  0.248235D+01
      2   0.849678D+00  0.794440D+00 -0.236356D+00  0.248235D+01 -0.209146D+01
      3   0.251391D+00 -0.236356D+00  0.488556D-01 -0.198404D+00 -0.616955D-01
               246           247           248           249           250 
      1  -0.198404D+00  0.306731D+01 -0.358075D+01  0.171936D+00 -0.250901D+00
      2  -0.616955D-01 -0.358075D+01  0.827610D+01 -0.442822D+00  0.830541D-01
      3  -0.282338D+00  0.171936D+00 -0.442822D+00  0.966022D+00 -0.200441D+00
               251           252           253           254           255 
      1   0.830541D-01 -0.200441D+00  0.115121D+01  0.150854D+00  0.691209D+00
      2  -0.665155D+00  0.914378D-01  0.150854D+00  0.414379D+00 -0.760243D-01
      3   0.914378D-01 -0.465295D-01  0.691209D+00 -0.760243D-01  0.477359D+00
               256           257           258           259           260 
      1  -0.139547D+01 -0.149600D+01  0.111387D+01  0.387851D+01  0.123091D+01
      2  -0.149600D+01 -0.210166D+01  0.183759D+01  0.123091D+01  0.184557D+01
      3   0.111387D+01  0.183759D+01 -0.286852D+01 -0.294902D+01 -0.269834D+01
               261           262           263           264           265 
      1  -0.294902D+01 -0.789049D+00 -0.569733D+00 -0.135365D+01 -0.283469D+01
      2  -0.269834D+01 -0.569733D+00 -0.205048D+00 -0.497628D+00 -0.258865D+01
      3   0.618627D+01 -0.135365D+01 -0.497628D+00 -0.670816D-01 -0.144318D+01
               266           267           268           269           270 
      1  -0.258865D+01 -0.144318D+01 -0.484394D+01 -0.198057D+01 -0.224994D+01
      2  -0.337943D+01 -0.198901D+01 -0.198057D+01 -0.243980D+01 -0.243866D+01
      3  -0.198901D+01 -0.245461D+01 -0.224994D+01 -0.243866D+01 -0.344110D+01
               271           272           273           274           275 
      1  -0.133784D+02  0.267638D+01  0.920278D+00  0.631741D+01 -0.215906D+01
      2   0.267638D+01 -0.128960D+01 -0.292416D+00 -0.215906D+01  0.177834D+01
      3   0.920278D+00 -0.292416D+00 -0.115305D+01 -0.600354D+00  0.937037D-01
               276           277           278           279 
      1  -0.600354D+00  0.564568D+00 -0.268631D+00 -0.156210D+01
      2   0.937037D-01 -0.268631D+00 -0.480506D-01 -0.268518D-01
      3   0.456407D+00 -0.156210D+01 -0.268518D-01  0.453904D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.255498D+01  0.428169D+01 -0.405136D+00  0.534877D+01  0.559940D+01
      2   0.145280D+02  0.648778D+01 -0.950560D+00 -0.142303D+02  0.528729D+00
      3  -0.437650D+01  0.415551D+02 -0.329983D+01  0.316374D+02  0.248395D+02
                 6             7             8             9            10 
      1  -0.122816D+01  0.335632D+01  0.716538D+01 -0.916493D+00  0.201018D+01
      2   0.976382D+00 -0.188493D+02 -0.258612D+01  0.227379D+01 -0.175701D+02
      3  -0.485392D+01 -0.251896D+01 -0.879663D+01 -0.766778D-01 -0.236039D+01
                11            12            13            14            15 
      1   0.694132D+01 -0.644339D+00  0.659039D+01  0.109412D+01 -0.234523D+00
      2   0.991942D+00 -0.225095D+01  0.206154D+02  0.387973D+01 -0.288603D+01
      3   0.480820D+02 -0.403976D+01  0.637460D+02  0.232703D+02 -0.854085D+01
                16            17            18            19            20 
      1   0.211434D+01  0.639960D+01 -0.103208D+01  0.353466D+01 -0.450446D+00
      2  -0.211365D+02 -0.159069D+01  0.246264D+01 -0.226928D+02 -0.812903D+01
      3  -0.509621D+01 -0.888281D+01  0.236178D+01  0.127014D+02 -0.327117D+02
                21            22            23            24            25 
      1  -0.451175D+00 -0.632220D+00  0.393266D+01 -0.227165D+01  0.530292D+01
      2   0.464972D+00 -0.118217D+02 -0.160477D+01 -0.136757D+01 -0.173210D+02
      3   0.134115D+01  0.257829D+01  0.254133D+01 -0.225708D-01  0.353453D+01
                26            27            28            29            30 
      1   0.101259D+01  0.275180D+01  0.277883D+01  0.723349D+00 -0.340015D+00
      2  -0.726307D+01  0.229459D+01  0.292002D+02  0.366048D+01  0.106184D+01
      3   0.522481D+01  0.297164D+01  0.110826D+02  0.868452D+01 -0.650437D+00
                31            32            33            34            35 
      1   0.575741D+01 -0.602305D+01  0.263477D+01 -0.159585D+01  0.150818D+02
      2   0.368095D+01 -0.141822D+00  0.333080D+00 -0.127429D+02 -0.119102D+01
      3   0.287090D+02  0.333036D+01  0.247543D+01 -0.351201D+01 -0.179667D+01
                36            37            38            39            40 
      1  -0.258451D+01  0.216716D+01 -0.515145D+01 -0.341568D+01 -0.364119D+01
      2   0.124192D+01  0.245808D+01  0.366205D+00  0.202841D+01  0.472719D+01
      3  -0.388679D+00  0.285984D+02  0.232302D+01 -0.848468D+00 -0.295721D+01
                41            42            43            44            45 
      1   0.564886D+01 -0.125486D+01 -0.168359D+02  0.754515D+01  0.155283D+01
      2   0.264486D+01  0.830131D+00 -0.819565D+01  0.748468D+01  0.112074D+01
      3   0.393373D+01 -0.182664D+01 -0.364338D+00 -0.194544D+01  0.747817D+01
                46            47            48            49            50 
      1  -0.548318D+01 -0.458179D-01  0.370628D+01 -0.188485D+01 -0.435643D+01
      2  -0.825843D+01 -0.126649D+01  0.109007D+01 -0.177980D+01 -0.143875D+01
      3  -0.495290D+02 -0.337764D+02  0.636181D+01 -0.878501D+01 -0.246328D+02
                51            52            53            54            55 
      1  -0.277887D+01  0.921100D+01 -0.520294D+01 -0.316560D+01 -0.123945D+01
      2   0.950454D+00 -0.171935D+02  0.136109D+01  0.164304D+00 -0.616155D+01
      3   0.325794D+01  0.773377D+01  0.602827D+01 -0.759595D+01 -0.285375D+02
                56            57            58            59            60 
      1  -0.602177D+01  0.409471D+01  0.118488D+01 -0.329513D+01 -0.185496D+01
      2  -0.394161D+01 -0.358825D+01 -0.363510D+01 -0.327483D+01  0.356633D+01
      3  -0.349987D+02  0.466014D+01 -0.229366D+01 -0.283588D+02  0.148249D+01
                61            62            63            64            65 
      1   0.623298D+01 -0.293161D+01 -0.647209D+00  0.769670D+00  0.509553D+00
      2  -0.220611D+02  0.622884D+01  0.703984D+00 -0.232585D+00 -0.348452D+00
      3   0.389245D+01  0.583572D+01 -0.118124D+02  0.330634D+00  0.986130D+00
                66            67            68            69            70 
      1   0.482652D+00 -0.441058D+00  0.175362D+01 -0.338469D+01  0.140713D+00
      2  -0.138135D+00 -0.676279D+00  0.885881D+00 -0.110480D+01 -0.176011D+01
      3  -0.204126D+00  0.526834D+01  0.428948D+01 -0.546293D+00 -0.328351D+00
                71            72            73            74            75 
      1   0.216911D+01 -0.229280D+00 -0.140286D+00 -0.118499D+01 -0.235629D+01
      2   0.137430D+01 -0.814058D-02  0.348054D+01  0.122573D+01  0.168742D+01
      3  -0.415388D+00 -0.814892D+00  0.906208D+01  0.153793D+00 -0.818158D+00
                76            77            78            79            80 
      1  -0.136255D+01 -0.204008D+01 -0.270147D+01  0.314329D+01  0.127411D+01
      2   0.172977D+01  0.141096D+01  0.219518D+01 -0.319888D+01 -0.445355D-01
      3   0.205538D+01 -0.148785D+01 -0.128804D+00 -0.182736D+01  0.144534D+00
                81            82            83            84            85 
      1  -0.228948D+00 -0.114811D+01  0.145368D+01  0.127645D+01  0.334721D+00
      2  -0.611786D+00 -0.792163D+00  0.841376D+00  0.612499D+00  0.721358D+00
      3  -0.125583D+01 -0.497404D+01  0.269599D+01  0.502189D-01  0.531323D+01
                86            87            88            89            90 
      1  -0.404248D+01 -0.447000D+01 -0.143869D+01  0.262059D+01  0.464448D+00
      2  -0.121361D+01 -0.851327D+00 -0.189333D+00 -0.794886D+00  0.260150D+00
      3  -0.375192D+01  0.687545D+00  0.550470D+00  0.501376D+00  0.112069D+01
                91            92            93            94            95 
      1  -0.537242D+00  0.954982D+00 -0.211330D+00 -0.175178D+01 -0.146115D+00
      2  -0.204969D+02 -0.202940D+01 -0.910329D+01  0.511815D+00  0.832721D+01
      3   0.141131D+01 -0.190761D+01 -0.114391D+01  0.158680D+02 -0.650696D+01
                96            97            98            99           100 
      1  -0.313818D+01 -0.238493D+01  0.333920D+01  0.324466D+01  0.524621D+00
      2  -0.161994D+01 -0.374030D+02 -0.528681D+01 -0.519902D+01 -0.275762D+01
      3  -0.126120D+02 -0.815982D+00 -0.114549D+02  0.542010D+01  0.101971D+02
               101           102           103           104           105 
      1  -0.300985D+01  0.389261D+01 -0.105859D+01 -0.374252D+01  0.548494D+01
      2   0.431852D+01  0.161523D+02  0.126944D+01 -0.862740D+01  0.451516D+01
      3  -0.159582D+02 -0.616220D+01 -0.103289D+02  0.995098D+00  0.137675D+02
               106           107           108           109           110 
      1   0.519980D+00  0.100341D+02  0.177928D+01 -0.453349D+01 -0.185490D+01
      2   0.832139D+01  0.919846D+01  0.137148D+02  0.198865D+02  0.248784D+01
      3  -0.500522D+01  0.943575D+01 -0.142725D+02  0.637748D+00  0.154610D+02
               111           112           113           114           115 
      1   0.395688D+01 -0.110902D+02 -0.353122D+01 -0.160441D+02  0.369309D+01
      2   0.935581D+00 -0.595919D+00  0.664280D+00 -0.260300D+01  0.189861D+02
      3   0.181601D+00  0.130125D+02  0.818814D+01  0.266315D+01 -0.239947D+00
               116           117           118           119           120 
      1  -0.443756D+01  0.154065D+01 -0.711293D+00 -0.128707D+01  0.450081D+00
      2  -0.133645D+01  0.225933D+00 -0.274333D+01 -0.595101D+00  0.576900D+01
      3   0.447267D+01 -0.722335D+00 -0.699488D+01 -0.572274D+01  0.195621D+01
               121           122           123           124           125 
      1  -0.162722D+00 -0.236780D+01  0.443997D+00  0.298898D+00  0.275331D+01
      2   0.877877D+00 -0.502733D+01  0.574682D+01  0.534371D+01  0.470735D+01
      3  -0.179922D+01 -0.879368D+01  0.687381D+01  0.158182D+01  0.810547D+01
               126           127           128           129           130 
      1  -0.942087D+00 -0.117661D+01  0.142118D+01 -0.277962D+01  0.363937D+00
      2  -0.898086D+01 -0.719918D+01 -0.302910D+01 -0.940748D+01 -0.150947D+00
      3  -0.614483D+01  0.374987D+01  0.486123D+01  0.601674D+01  0.322142D+01
               131           132           133           134           135 
      1  -0.256613D-01 -0.208628D+01 -0.175103D+01  0.127405D+01 -0.758783D+01
      2  -0.379819D+01 -0.477121D+01 -0.633635D+01 -0.802507D+01 -0.249532D+02
      3   0.407746D+01  0.428200D+01  0.297485D+01  0.641955D+01  0.121231D+02
               136           137           138           139           140 
      1   0.147979D+01  0.156213D+01 -0.210970D+01  0.415094D+00  0.769664D+01
      2   0.201152D+01 -0.525503D+00 -0.198552D+01 -0.687409D+00  0.534763D+01
      3   0.383060D+01  0.545694D+01 -0.147356D+01  0.368348D+01  0.173046D+02
               141           142           143           144           145 
      1  -0.701595D+01 -0.331652D+00 -0.494675D+01  0.658635D+01  0.316200D+00
      2  -0.533630D+01 -0.169560D+01 -0.520041D+01  0.564930D+01  0.673030D+01
      3  -0.686796D+01 -0.144324D+01 -0.114332D+02  0.770242D+01 -0.651609D+01
               146           147           148           149           150 
      1  -0.175882D+01  0.191702D+01 -0.116177D+01  0.678823D+00 -0.123990D+01
      2  -0.317795D+00  0.576559D+01 -0.106672D+01  0.181205D+01 -0.345781D+00
      3  -0.620596D+01 -0.170737D+00 -0.145575D+01  0.801530D+00 -0.130594D+01
               151           152           153           154           155 
      1   0.121860D+01 -0.426310D+00 -0.441916D+00  0.361360D+01  0.194548D+01
      2   0.241019D+01 -0.147485D+01 -0.231138D+01 -0.904690D+01  0.167253D+00
      3   0.109423D+01 -0.113824D+01  0.549863D+00 -0.626610D+01 -0.252847D+02
               156           157           158           159           160 
      1  -0.390608D+01  0.829951D+01  0.247770D+01  0.871456D+00 -0.189264D+01
      2   0.231758D+02  0.228146D+01 -0.126768D+01  0.404611D+01  0.862809D+01
      3  -0.124538D+01 -0.157384D+02 -0.109415D+02 -0.175477D+01 -0.453393D+00
               161           162           163           164           165 
      1   0.320503D+01 -0.185310D+00  0.500583D+01  0.172465D+01  0.108084D+01
      2   0.310482D+01  0.260154D+01 -0.816575D+01 -0.284572D+01  0.997462D+00
      3  -0.303237D+01 -0.183313D+01 -0.343158D+01 -0.322697D+01  0.449019D+00
               166           167           168           169           170 
      1   0.399289D+01 -0.235203D+00  0.441954D+01  0.174215D+01  0.741177D+01
      2  -0.252016D+01  0.550619D+01  0.344698D+00 -0.102600D+02  0.677392D+00
      3   0.198839D+01  0.547131D+00 -0.533347D+01  0.130870D+01 -0.272586D+01
               171           172           173           174           175 
      1  -0.125561D+01 -0.520232D+01 -0.157810D+01 -0.183463D+01 -0.507367D+01
      2   0.220286D+02  0.195711D+02  0.144362D+01 -0.551479D+01  0.313716D+01
      3   0.365086D+00  0.264040D+01  0.165489D+01  0.151485D+00  0.450677D+01
               176           177           178           179           180 
      1   0.114274D+00 -0.259105D+01 -0.179152D+01 -0.933218D+00 -0.653690D+00
      2   0.202645D+01 -0.823894D+00 -0.145145D+01  0.469188D+00  0.946780D+00
      3  -0.909876D-01 -0.794344D+00  0.589755D+00  0.104495D+01  0.234111D+00
               181           182           183           184           185 
      1  -0.610911D+00  0.416629D+01 -0.440990D+01 -0.263979D+01  0.101883D+00
      2   0.387967D+00  0.212481D+01  0.628568D+01 -0.601775D+01  0.214976D+01
      3   0.149247D+02  0.529035D+01 -0.211986D+01 -0.147470D+02  0.820873D+01
               186           187           188           189           190 
      1  -0.111137D+01 -0.122812D+02  0.641962D+01  0.209484D+01  0.235859D+01
      2   0.248392D+01 -0.260947D+01  0.107255D+02 -0.323555D+01 -0.121581D+02
      3   0.320415D+00  0.151550D+01 -0.340900D+01  0.551280D+00  0.655073D+01
               191           192           193           194           195 
      1   0.721294D+01  0.329314D+00  0.600658D+01  0.615217D+01  0.149357D+01
      2  -0.538978D+00 -0.332624D+00  0.303604D+01 -0.208028D+01 -0.358983D+00
      3   0.210684D+02 -0.316271D+01  0.404624D+02  0.526589D+01 -0.496984D+01
               196           197           198           199           200 
      1  -0.565911D+00  0.123494D+02 -0.177772D+01  0.212486D+00 -0.674895D+01
      2   0.264142D+01 -0.355736D+01 -0.216199D+01  0.145955D+02 -0.137658D+01
      3  -0.567029D+01 -0.483763D+01 -0.116634D+01  0.174062D+02 -0.381718D+02
               201           202           203           204           205 
      1   0.170069D+00 -0.609931D+00 -0.336920D+01 -0.216061D+01  0.675644D+01
      2   0.190568D+01  0.328440D+01 -0.172418D+01 -0.302578D+01 -0.201031D+02
      3   0.298923D+01 -0.550518D-01 -0.106174D+02  0.271824D+01  0.116663D+00
               206           207           208           209           210 
      1   0.248241D+01 -0.107578D+01 -0.203145D+01 -0.638596D+01 -0.789901D+00
      2  -0.169008D+02  0.477283D+01  0.329966D+01 -0.158865D+01  0.134704D+02
      3   0.844993D+01  0.832842D+01 -0.400765D+01 -0.399816D+02  0.360551D+01
               211           212           213           214           215 
      1   0.115920D-01  0.418656D+00 -0.443754D+01 -0.167324D+01 -0.975035D+00
      2  -0.759067D+00  0.546668D+00  0.389555D+01 -0.530275D+01 -0.170285D+01
      3  -0.191525D+01  0.123828D+02 -0.906163D+00  0.197605D+01  0.429748D+01
               216           217           218           219           220 
      1   0.107594D+01 -0.117288D+01  0.245795D+01  0.102854D+01  0.385800D+01
      2  -0.969384D+00 -0.601611D+01 -0.372661D+01 -0.689697D+00 -0.450339D+01
      3   0.275413D+01 -0.316490D+02  0.111616D+02  0.592763D+01  0.264107D+02
               221           222           223           224           225 
      1   0.332530D+01  0.377334D+01  0.100751D+02  0.619614D+01 -0.123750D+00
      2  -0.362534D+01 -0.346393D+02 -0.159233D+02 -0.269537D+02  0.122089D+02
      3   0.214184D+02  0.134440D+01  0.526732D+01  0.162277D+01  0.273298D+02
               226           227           228           229           230 
      1  -0.308321D+00  0.459765D+00  0.119066D+01 -0.169429D+00  0.363966D+00
      2  -0.501121D+00  0.102874D+00  0.216596D+00  0.548302D+00 -0.188592D+01
      3  -0.688090D+01  0.532742D+01  0.182985D+00  0.556898D+01 -0.193342D+02
               231           232           233           234           235 
      1  -0.443339D+01 -0.576934D+00  0.260583D+01  0.300190D+00  0.170999D+01
      2   0.712674D+00  0.187999D+00 -0.262828D+00 -0.953666D-02 -0.190508D+01
      3   0.167110D+01  0.313319D+00  0.129201D+01  0.545335D+00  0.575377D+01
               236           237           238           239           240 
      1   0.144127D+00 -0.191966D+01  0.564936D+00 -0.974840D-01 -0.263589D+01
      2  -0.131366D+01  0.212234D+01 -0.196884D+01 -0.223259D+01  0.362770D+01
      3  -0.493241D+01 -0.290535D+00 -0.588851D+01 -0.112877D+02  0.162462D+01
               241           242           243           244           245 
      1   0.222166D+01  0.951892D+00  0.235508D-01 -0.180691D+00  0.595237D+00
      2  -0.261510D+01  0.374667D+00 -0.277296D+00 -0.788083D-04  0.638495D+00
      3  -0.273611D+00  0.152910D+01 -0.128029D+01  0.387416D+01 -0.335167D+01
               246           247           248           249           250 
      1   0.117349D+01  0.389661D+00 -0.459016D+00 -0.385678D+01 -0.128099D+00
      2   0.122071D+01  0.226144D+00  0.597557D+00 -0.329988D+01 -0.169663D+01
      3  -0.338534D+00 -0.222001D+01  0.195323D+02 -0.124058D+01  0.841486D-02
               251           252           253           254           255 
      1   0.180199D+01  0.863135D-01 -0.795174D+00  0.307621D+00  0.939275D+00
      2   0.279555D+00  0.246161D+00 -0.598992D+01  0.684313D+00 -0.248673D+01
      3  -0.203009D+01 -0.167631D+00 -0.135060D+01  0.115158D+01 -0.944517D+00
               256           257           258           259           260 
      1  -0.101685D+00 -0.118777D+01 -0.183703D+01 -0.159455D+01  0.204177D+01
      2  -0.435999D+01 -0.101407D+02  0.165827D+02  0.117206D+02  0.160332D+02
      3  -0.732597D+01 -0.162994D+02  0.115087D+02  0.558896D+01  0.135354D+02
               261           262           263           264           265 
      1   0.327083D+01 -0.303462D+00 -0.326226D+00 -0.132110D+00 -0.228967D+01
      2  -0.348286D+02  0.867456D+01  0.286635D+01  0.133979D+01  0.718288D+01
      3  -0.173715D+02 -0.433847D+01 -0.275960D+01 -0.216892D+01 -0.130149D+02
               266           267           268           269           270 
      1  -0.258957D+01 -0.399127D+01 -0.327313D+01 -0.991575D+00 -0.475731D+01
      2   0.114111D+02  0.153277D+02  0.110659D+02  0.150562D+02  0.206143D+02
      3  -0.241504D+02 -0.115070D+02 -0.866672D+01 -0.161691D+02 -0.148771D+02
               271           272           273           274           275 
      1   0.164822D+01 -0.105758D+01  0.166851D-01 -0.125917D+01  0.832801D+00
      2   0.757675D-01  0.482952D+00  0.863416D+01  0.943232D+00  0.344345D+00
      3   0.217092D+02 -0.125326D+02 -0.211049D+01 -0.143145D+02  0.120752D+02
               276           277           278           279 
      1  -0.851370D+00 -0.116043D+01  0.318777D+00  0.151801D+00
      2  -0.310079D+01  0.754874D+01  0.347551D+00 -0.219625D+01
      3   0.745610D+00 -0.183119D+01  0.127462D+00 -0.558824D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.899153D+02 -0.461121D+02  0.115766D+02  0.886627D+02 -0.498025D+01
      2   0.508858D+02  0.272990D+02 -0.792580D+01 -0.438198D+02  0.799926D+01
      3   0.390295D+02  0.188131D+02 -0.365077D+01 -0.448429D+02 -0.301901D+01
      4  -0.430437D+02  0.200072D+01  0.270752D+01 -0.453680D+01  0.709746D+01
      5   0.137134D+02  0.212488D+01 -0.188012D+01  0.216298D+01  0.202998D+01
      6   0.839977D+00 -0.452664D+01  0.103263D+01  0.354417D+01  0.182846D+01
                 6             7             8             9            10 
      1  -0.945992D+01  0.230516D+01  0.475278D+01 -0.112831D+02  0.755882D+02
      2   0.341615D+01 -0.325238D+01 -0.404666D+01 -0.104569D+01 -0.297686D+02
      3   0.604377D+01  0.947225D+00 -0.706123D+00  0.123288D+02 -0.458197D+02
      4   0.324064D-01  0.523873D+01 -0.229514D+00 -0.423268D+00  0.700570D+01
      5  -0.620439D+00 -0.160792D+01  0.138831D+01  0.311690D+01 -0.105578D+02
      6  -0.600777D+00 -0.287445D+01  0.238570D+01  0.226970D+01  0.299935D+00
                11            12            13            14            15 
      1  -0.798277D+01 -0.766489D+01 -0.103326D+03 -0.278910D+02  0.118661D+02
      2   0.659582D+01  0.131459D+01  0.480713D+02  0.223782D+02 -0.760121D+01
      3   0.138696D+01  0.635030D+01  0.552546D+02  0.551278D+01 -0.426493D+01
      4   0.212848D+01 -0.184080D+01 -0.195711D+02 -0.137083D+02  0.242675D+01
      5  -0.600399D+00 -0.538977D+01  0.285300D+00 -0.341016D+00 -0.270740D+00
      6  -0.594734D+00 -0.514978D+00 -0.102459D+01 -0.506791D+01  0.527293D-01
                16            17            18            19            20 
      1   0.440495D+00  0.266374D+01 -0.846614D+01  0.561877D+02  0.509494D+02
      2  -0.257588D+01 -0.218483D+01 -0.148252D+01 -0.325610D+02 -0.354255D+02
      3   0.213539D+01 -0.478911D+00  0.994866D+01 -0.236268D+02 -0.155239D+02
      4   0.109537D+01  0.154273D+01 -0.191356D+01  0.408552D+02 -0.525131D+01
      5   0.119026D+01 -0.165409D+01  0.314725D+01 -0.112991D+02 -0.402742D+01
      6  -0.151991D+01  0.380753D+01  0.437362D+00 -0.664626D+00  0.103892D+02
                21            22            23            24            25 
      1  -0.148884D+02 -0.121459D+02  0.217165D+02 -0.726221D+01 -0.672134D+01
      2   0.857594D+01  0.173766D+02 -0.262530D+02  0.414578D+01 -0.394115D+00
      3   0.631247D+01 -0.523073D+01  0.453645D+01  0.311643D+01  0.711546D+01
      4  -0.353462D+01  0.168289D+02  0.468019D+00 -0.143160D+01 -0.114369D+02
      5  -0.191911D+01 -0.496433D+01 -0.160605D+01 -0.526739D+01  0.720992D+01
      6  -0.119319D+01 -0.331922D+01  0.863350D+01  0.428829D+01  0.474686D+00
                26            27            28            29            30 
      1  -0.171842D+02 -0.661973D+01  0.166937D+02 -0.100416D+01  0.873158D+01
      2   0.100819D+02 -0.429407D+01 -0.231125D+02  0.384851D+01 -0.417056D+01
      3   0.710228D+01  0.109138D+02  0.641886D+01 -0.284434D+01 -0.456102D+01
      4  -0.127452D+01 -0.354607D+01 -0.979853D+01  0.938244D+01 -0.141977D+01
      5  -0.865407D+01  0.440089D+01  0.104770D+02 -0.167394D+01  0.747157D+01
      6   0.958378D+01  0.364369D+01  0.269516D+01 -0.458579D+01  0.133779D+01
                31            32            33            34            35 
      1  -0.324932D+02 -0.656145D+02  0.953643D+01  0.157006D+02  0.106650D+02
      2   0.266004D+02  0.563185D+02 -0.104870D+02 -0.209803D+01 -0.798276D+01
      3   0.589280D+01  0.929602D+01  0.950605D+00 -0.136026D+02 -0.268223D+01
      4  -0.391595D+02  0.462985D+01 -0.109188D+01  0.884786D+01 -0.277462D+01
      5   0.959500D+01  0.178114D+01  0.371036D-01  0.266253D+02  0.492269D+01
      6   0.169685D+01 -0.167913D+02 -0.400167D+00 -0.373815D+00  0.557792D+01
                36            37            38            39            40 
      1  -0.622145D+01 -0.120620D+02 -0.643603D+02  0.100564D+02  0.284111D+02
      2  -0.782433D+01  0.608126D+01  0.507029D+02 -0.459113D+01 -0.283177D+02
      3   0.140458D+02  0.598078D+01  0.136574D+02 -0.546530D+01 -0.934564D-01
      4  -0.119635D+01 -0.914004D+01 -0.840022D+01  0.467497D+01  0.139821D+02
      5  -0.161523D+01 -0.205240D+01  0.883870D+01  0.345032D+01  0.143118D+01
      6   0.786503D+00  0.554591D+01 -0.990990D+01  0.811326D+01  0.382791D+01
                41            42            43            44            45 
      1   0.409524D+02 -0.567659D+01  0.598640D+01  0.723193D+01 -0.154747D+02
      2  -0.371518D+02  0.657922D+01  0.723241D+01 -0.279195D+00 -0.195245D+00
      3  -0.380060D+01 -0.902631D+00 -0.132188D+02 -0.695274D+01  0.156699D+02
      4  -0.150610D+02  0.318923D+01  0.907685D+01  0.484196D+01  0.913624D+01
      5   0.395290D+00  0.463221D+01  0.161839D+02  0.501296D+01 -0.625651D+01
      6   0.128942D+02 -0.734077D+00  0.193643D+02  0.101437D+02 -0.790920D+01
                46            47            48            49            50 
      1   0.216157D+02  0.485216D+02 -0.123965D+02 -0.104495D+02  0.230050D+01
      2  -0.156875D+02 -0.360125D+02  0.575585D+01  0.900234D+01 -0.113361D+02
      3  -0.592817D+01 -0.125090D+02  0.664060D+01  0.144716D+01  0.903562D+01
      4   0.818356D+00 -0.732436D+01  0.411754D+00  0.589145D+01  0.115286D+02
      5   0.103641D+02 -0.183476D+01 -0.829595D+00  0.174213D+01 -0.121205D+01
      6  -0.119847D+01  0.131392D+02 -0.807678D+01 -0.278017D+01  0.441623D+01
                51            52            53            54            55 
      1  -0.135905D+01 -0.425601D+01 -0.670771D+01 -0.222224D+02  0.128816D+02
      2   0.427337D+01  0.561651D+00  0.146935D+02  0.114189D+02 -0.152465D+02
      3  -0.291432D+01  0.369436D+01 -0.798576D+01  0.108035D+02  0.236492D+01
      4  -0.206796D+01 -0.135894D+01  0.227173D+01 -0.466128D+01  0.324831D+02
      5  -0.924866D-01  0.327559D+01 -0.505877D+00  0.455196D+01 -0.117284D+02
      6   0.663439D+01 -0.624309D+01  0.225131D+02 -0.452835D+01 -0.201656D+01
                56            57            58            59            60 
      1   0.533099D+02 -0.982086D+01  0.288307D+01  0.226841D+02 -0.428531D+01
      2  -0.342972D+02  0.514377D+01  0.131853D+01 -0.224723D+02  0.382808D+01
      3  -0.190127D+02  0.467710D+01 -0.420160D+01 -0.211826D+00  0.457236D+00
      4  -0.361748D+02  0.188463D+00  0.292385D+02  0.163676D+02 -0.181513D+01
      5  -0.377104D+00 -0.735043D+01 -0.459951D+01 -0.520163D+00  0.486042D+01
      6   0.484228D+01 -0.620598D+01 -0.180610D+01  0.509171D+01  0.570757D+01
                61            62            63            64            65 
      1  -0.367389D+01 -0.972885D+01 -0.200982D+02  0.712950D-01  0.467429D+00
      2   0.266962D+01  0.105359D+02  0.852441D+01  0.217274D+01 -0.164705D+01
      3   0.100428D+01 -0.807028D+00  0.115738D+02 -0.224403D+01  0.117962D+01
      4  -0.514810D+01  0.810677D+01  0.115566D+02 -0.501931D+01  0.804278D+01
      5   0.193294D+01  0.139338D+02  0.943211D+00 -0.138146D+01  0.105738D+01
      6  -0.972345D+00  0.215353D+02 -0.223718D+00  0.112367D+01 -0.116265D+01
                66            67            68            69            70 
      1  -0.333037D+00  0.386479D+01 -0.210036D+02  0.435924D-01 -0.207522D+01
      2   0.176508D+00 -0.733814D+01  0.270441D+02 -0.122761D+00  0.171963D+01
      3   0.156530D+00  0.347335D+01 -0.604053D+01  0.791687D-01  0.355588D+00
      4   0.114787D+00  0.118606D+02 -0.172959D+02 -0.126186D+00 -0.281089D+00
      5   0.622479D+00  0.137493D+01 -0.234721D+00 -0.199362D+01  0.234729D+00
      6  -0.443140D+00 -0.208356D+01  0.393244D+01  0.471031D+01 -0.168963D+01
                71            72            73            74            75 
      1   0.234104D+01 -0.235162D+01  0.488454D+01 -0.348689D+01  0.136591D+01
      2  -0.220078D+01  0.276276D+01  0.464183D+01  0.106464D+02 -0.110972D+01
      3  -0.140261D+00 -0.411146D+00 -0.952637D+01 -0.715951D+01 -0.256193D+00
      4   0.106926D+01 -0.463202D+00  0.275025D+02  0.228695D+02 -0.524583D+01
      5   0.546824D+00 -0.661030D-01 -0.872459D+01 -0.541883D+01  0.537912D+01
      6   0.135708D+01 -0.558333D+00 -0.744506D+01 -0.682304D+01  0.475978D+01
                76            77            78            79            80 
      1  -0.713500D+01 -0.146176D+02  0.405422D+01 -0.729077D+00  0.215471D+01
      2   0.158404D+02  0.248490D+02 -0.366694D+01 -0.245721D+01 -0.287905D+01
      3  -0.870545D+01 -0.102314D+02 -0.387283D+00  0.318628D+01  0.724334D+00
      4   0.265441D+02  0.300108D+02 -0.581796D+01 -0.622818D+01 -0.523697D+01
      5  -0.604501D+01 -0.616465D+01  0.473779D+01  0.143009D+01  0.321761D+01
      6  -0.864718D+01 -0.106063D+02  0.732666D+01  0.205591D+00  0.415340D+01
                81            82            83            84            85 
      1  -0.545558D+00 -0.514764D+01  0.903126D+01 -0.311654D+00  0.588735D+01
      2   0.130294D+01  0.780551D+01 -0.129711D+02  0.361339D+00 -0.752423D+01
      3  -0.757386D+00 -0.265786D+01  0.393985D+01 -0.496851D-01  0.163688D+01
      4   0.331416D+01 -0.504096D+01  0.127916D+02 -0.117936D+01  0.771009D+01
      5  -0.166798D+01  0.155977D+01 -0.249244D+01  0.200832D+01 -0.153456D+01
      6  -0.210056D+01 -0.168754D+01  0.186535D+01 -0.203168D+01  0.203309D+01
                86            87            88            89            90 
      1  -0.525619D+02  0.593502D+01 -0.112158D+00  0.458618D+01 -0.208141D+01
      2   0.703831D+02 -0.558242D+01  0.706392D+00 -0.564270D+01  0.241659D+01
      3  -0.178211D+02 -0.352599D+00 -0.594234D+00  0.105652D+01 -0.335189D+00
      4  -0.146912D+02  0.160820D+01 -0.844080D+00 -0.187778D+00 -0.139570D+01
      5   0.461104D+01 -0.168170D+01  0.100475D+01 -0.160424D+01  0.996596D-01
      6  -0.137265D+02  0.924017D+01  0.856723D+00  0.433629D+01 -0.158009D+01
                91            92            93            94            95 
      1  -0.338344D+02 -0.177077D+02 -0.104533D+02 -0.111274D+02  0.431009D+00
      2   0.280264D+02  0.147318D+02  0.522052D+01  0.111390D+02  0.859684D-01
      3   0.580799D+01  0.297589D+01  0.523279D+01 -0.115855D-01 -0.516977D+00
      4  -0.128225D+02 -0.102464D+02  0.220126D+01 -0.194518D+02  0.114801D+02
      5  -0.141816D+02  0.199483D+01 -0.220481D+02  0.667758D+01  0.257867D+02
      6   0.181972D+01  0.442837D+01 -0.851631D-01  0.656934D+01 -0.346571D+01
                96            97            98            99           100 
      1   0.857677D+01 -0.279200D+02 -0.677628D+00 -0.184257D+02 -0.574133D+02
      2  -0.977222D+01  0.198995D+02 -0.405641D+01  0.123434D+02  0.312073D+02
      3   0.119545D+01  0.802053D+01  0.473404D+01  0.608229D+01  0.262060D+02
      4   0.256739D+02  0.121307D+01  0.208707D+02 -0.890467D+01  0.278639D+02
      5  -0.348566D+01 -0.402323D+02 -0.110566D+02  0.149909D+01  0.279265D+02
      6  -0.917217D+01 -0.466408D+01 -0.293529D+01  0.621774D+01 -0.640690D+01
               101           102           103           104           105 
      1   0.254404D+02  0.259513D+02  0.672035D+01  0.506490D+01 -0.541744D+01
      2  -0.180965D+02 -0.544597D+01 -0.826935D+01 -0.470964D+01  0.185207D+02
      3  -0.734389D+01 -0.205053D+02  0.154900D+01 -0.355268D+00 -0.131032D+02
      4   0.961993D+01 -0.887678D+00  0.162621D+02 -0.149344D+02 -0.252005D+02
      5  -0.419847D+00  0.196412D+02  0.197396D+01 -0.265453D+02  0.487939D+01
      6  -0.382004D+01 -0.119899D+02 -0.698588D+01  0.134536D+02 -0.431390D+00
               106           107           108           109           110 
      1   0.185004D+02  0.746987D+00  0.358112D+02 -0.993012D+02 -0.141003D+02
      2  -0.714194D+01  0.144557D+02 -0.144283D+02  0.402980D+02  0.120423D+01
      3  -0.113584D+02 -0.152027D+02 -0.213829D+02  0.590033D+02  0.128961D+02
      4   0.220181D+01 -0.171371D+02  0.849578D+01 -0.254346D+02 -0.231609D+02
      5   0.139255D+02  0.142004D+02  0.123817D+02 -0.179152D+02 -0.729030D+01
      6  -0.756905D+01 -0.631101D+01 -0.143383D+02 -0.239087D+01 -0.208670D+01
               111           112           113           114           115 
      1  -0.109631D+02 -0.118951D+02 -0.930098D+01 -0.502552D+01  0.357039D+02
      2   0.312412D+01  0.163352D+01  0.732253D+01  0.144993D+01 -0.284741D+02
      3   0.783899D+01  0.102616D+02  0.197845D+01  0.357559D+01 -0.722981D+01
      4  -0.562725D+01  0.810780D+01 -0.925332D+01 -0.217820D+01 -0.355078D+01
      5  -0.116110D+02 -0.534777D+01 -0.327605D+01 -0.109284D+01  0.333752D+02
      6  -0.206240D+01 -0.430817D+01 -0.270541D+00  0.290936D+01  0.698031D+01
               116           117           118           119           120 
      1   0.354132D+00  0.264663D+02  0.166388D+02  0.908208D+01 -0.605773D+01
      2  -0.215708D+01 -0.821709D+01 -0.123892D+02 -0.655447D+01  0.557606D+01
      3   0.180295D+01 -0.182493D+02 -0.424960D+01 -0.252761D+01  0.481667D+00
      4  -0.225437D+01  0.287353D+01  0.150917D+02  0.119266D+02 -0.538411D+01
      5   0.409479D+01  0.260246D+01 -0.158648D+02 -0.642331D+01  0.168671D+02
      6  -0.255514D+01 -0.651836D+00 -0.544200D+01 -0.322157D+01  0.310666D+01
               121           122           123           124           125 
      1   0.188435D+02  0.223175D+01 -0.115830D+01 -0.838704D+01 -0.466480D+00
      2  -0.121996D+02 -0.140536D+01  0.348611D+01  0.871738D+01  0.423702D+01
      3  -0.664386D+01 -0.826386D+00 -0.232781D+01 -0.330336D+00 -0.377054D+01
      4   0.144639D+02  0.188463D+02 -0.151650D+02 -0.675648D+01 -0.153514D+02
      5  -0.118690D+02 -0.158186D+02  0.142862D+02  0.231433D+02  0.127519D+02
      6  -0.479600D+01 -0.857123D+01  0.873357D+01  0.460450D+01  0.761022D+01
               126           127           128           129           130 
      1   0.188153D+01 -0.626088D+01 -0.958406D+01 -0.200879D+02 -0.161364D+01
      2  -0.102379D+02  0.278633D+00  0.611762D+01  0.388048D+01  0.946376D+00
      3   0.835641D+01  0.598225D+01  0.346644D+01  0.162074D+02  0.667264D+00
      4   0.124841D+02  0.622742D+00 -0.525881D+01 -0.112056D+01 -0.995304D-01
      5  -0.269123D+02 -0.407416D+01 -0.376854D+01 -0.937295D+01  0.598247D+00
      6  -0.792995D+01  0.379126D+01  0.594400D+01  0.106223D+02  0.136399D+01
               131           132           133           134           135 
      1  -0.102061D+02 -0.830489D+01 -0.124911D+02 -0.121451D+02 -0.376142D+02
      2   0.587488D+01  0.344000D+01  0.427444D+01  0.371262D+01 -0.185915D+01
      3   0.433123D+01  0.486489D+01  0.821668D+01  0.843251D+01  0.394733D+02
      4  -0.418911D+01 -0.420945D+01  0.701032D+01 -0.107126D+02 -0.111384D+02
      5  -0.399406D+01 -0.667666D+01  0.467762D+01 -0.149788D+02 -0.394323D+02
      6   0.677555D+01  0.112913D+02  0.598026D+00  0.151337D+02  0.283162D+02
               136           137           138           139           140 
      1   0.167811D+01 -0.994551D+01  0.938357D+00 -0.754531D+01 -0.165298D+02
      2   0.176178D+01  0.926357D+01 -0.289400D+01  0.284225D+01  0.300618D+02
      3  -0.343989D+01  0.681940D+00  0.195564D+01  0.470306D+01 -0.135320D+02
      4  -0.483219D+01 -0.263668D+01 -0.256719D+00  0.773035D+01 -0.272125D+02
      5   0.857969D+00  0.165062D+01 -0.421263D+01  0.155776D+01  0.113495D+02
      6  -0.664994D+00  0.226437D+00  0.316996D+01 -0.886348D-01 -0.321482D+01
               141           142           143           144           145 
      1   0.546923D+01  0.458311D+01  0.707199D+01 -0.954357D+01  0.922269D+02
      2  -0.121385D+02 -0.155810D+01 -0.162011D+02  0.102174D+02 -0.465938D+02
      3   0.666929D+01 -0.302501D+01  0.912915D+01 -0.673807D+00 -0.456331D+02
      4   0.934545D+01 -0.736736D+01  0.198425D+02 -0.817370D+01 -0.499578D+02
      5  -0.111561D+02 -0.142395D+01 -0.100355D+02  0.128039D+02 -0.376180D+02
      6   0.734226D+01  0.980705D+00  0.565925D+01 -0.689556D+01  0.100809D+02
               146           147           148           149           150 
      1  -0.178903D+02 -0.135486D+02 -0.883806D+01  0.857736D+01  0.139814D+01
      2   0.501572D+01  0.948259D+01  0.815131D+00 -0.174769D+01 -0.134498D+01
      3   0.128746D+02  0.406601D+01  0.802293D+01 -0.682967D+01 -0.531635D-01
      4   0.244245D+02  0.101870D+02  0.165017D+02 -0.827007D+01 -0.840032D+00
      5   0.102029D+02  0.191244D+02  0.312857D+01 -0.222200D+01 -0.158550D+01
      6  -0.580693D+01 -0.592639D+01 -0.380501D+01  0.953662D+00  0.218224D+01
               151           152           153           154           155 
      1  -0.956865D+01  0.160368D+01  0.577758D+01  0.204953D+03  0.260079D+02
      2   0.757045D+01 -0.274350D+01 -0.527734D+01 -0.965078D+02 -0.897068D+01
      3   0.199820D+01  0.113981D+01 -0.500241D+00 -0.108445D+03 -0.170372D+02
      4   0.481686D+01 -0.499913D+00 -0.594881D+01  0.363917D+02  0.432017D+02
      5   0.161973D+02 -0.518392D+01 -0.964401D+01  0.398880D+02  0.818853D+01
      6  -0.433928D+01  0.300757D+01  0.362241D+01  0.852244D+00  0.464506D+01
               156           157           158           159           160 
      1   0.120760D+02  0.237224D+02  0.340775D+02  0.788564D+00  0.127494D+02
      2  -0.114905D+02 -0.677286D+01 -0.112369D+02 -0.834796D+00 -0.115691D+02
      3  -0.585507D+00 -0.169496D+02 -0.228407D+02  0.462323D-01 -0.118032D+01
      4   0.608353D+01  0.495268D+02  0.253241D+02  0.497773D+01  0.490162D+01
      5   0.414772D+02  0.505512D+01  0.872468D+01  0.601720D+01  0.393154D+02
      6   0.143474D+01  0.914346D+01  0.363332D+01  0.582807D+01  0.219195D+01
               161           162           163           164           165 
      1   0.128348D+01  0.225201D+02  0.569348D+02  0.589826D+01  0.193151D+02
      2  -0.114741D+01 -0.158374D+02 -0.390845D+02 -0.238376D+01 -0.118077D+02
      3  -0.136067D+00 -0.668277D+01 -0.178503D+02 -0.351450D+01 -0.750741D+01
      4   0.366210D+01  0.606175D+01  0.728160D+01  0.604418D+01 -0.106293D+01
      5   0.657902D+01  0.122154D+02  0.367912D+02 -0.489391D+00  0.199592D+02
      6   0.499618D+01  0.176901D+01  0.345809D+01  0.527039D+00  0.598354D+00
               166           167           168           169           170 
      1   0.104122D+02 -0.107265D+02 -0.173028D+00 -0.279698D+01 -0.208163D+01
      2  -0.613316D+01  0.345240D+01  0.447094D+00 -0.138825D+01  0.143039D+01
      3  -0.427908D+01  0.727413D+01 -0.274066D+00  0.418523D+01  0.651243D+00
      4   0.233754D+01 -0.220308D+01  0.894890D+01 -0.203862D+01  0.498683D+01
      5   0.384396D+01  0.811347D+01 -0.442114D+00  0.129290D+02 -0.191732D+00
      6   0.193438D+01  0.274593D+00  0.114717D+02 -0.164269D+01  0.102707D+02
               171           172           173           174           175 
      1  -0.334931D+02 -0.532352D+02 -0.216927D+01  0.152442D+01 -0.794778D+01
      2  -0.106445D+02  0.339411D+02  0.141059D+01  0.816260D+01  0.581130D+01
      3   0.441376D+02  0.192941D+02  0.758678D+00 -0.968702D+01  0.213648D+01
      4  -0.141785D+01 -0.393176D+01 -0.381749D+01  0.375972D+00  0.185342D+00
      5   0.379674D+02 -0.295372D+02  0.555313D+00 -0.183709D+02 -0.292723D+01
      6  -0.976923D+00 -0.297100D+01 -0.300684D+01  0.761773D-01 -0.888213D+00
               176           177           178           179           180 
      1  -0.370485D+01  0.706533D+00 -0.169445D+02 -0.101167D+01 -0.998062D+01
      2   0.218241D+01  0.103020D+01  0.164321D+02  0.108650D+01  0.675391D+01
      3   0.152244D+01 -0.173673D+01  0.512350D+00 -0.748306D-01  0.322671D+01
      4  -0.219850D+00  0.243645D+01 -0.177214D+01 -0.736707D+00 -0.179280D+00
      5   0.226562D+01 -0.251833D+01 -0.178724D+02 -0.180438D+00 -0.722706D+01
      6  -0.102817D+01  0.255139D+01 -0.956119D+00  0.443356D+00 -0.100493D+01
               181           182           183           184           185 
      1  -0.321793D+01 -0.539842D+02  0.760768D+01  0.896013D+02  0.308502D+02
      2   0.580601D+01  0.382552D+02 -0.409746D+01 -0.619342D+02 -0.247846D+02
      3  -0.258808D+01  0.157290D+02 -0.351023D+01 -0.276670D+02 -0.606559D+01
      4  -0.231580D+02  0.424635D+02  0.308169D+01  0.260948D+02 -0.339257D+02
      5   0.118160D+02  0.388899D+01  0.116760D+02 -0.590646D+01  0.602580D+01
      6   0.474051D+01  0.477952D+00  0.730395D+01  0.419097D+01  0.459811D+01
               186           187           188           189           190 
      1  -0.101787D+02 -0.369946D+01  0.676866D+01  0.255552D+01  0.136095D+03
      2   0.790132D+01  0.709452D+01 -0.200111D+01 -0.919049D+01 -0.733995D+02
      3   0.227735D+01 -0.339506D+01 -0.476755D+01  0.663496D+01 -0.626960D+02
      4   0.354141D+01  0.764028D+01  0.328942D+01  0.177400D+02  0.784043D+01
      5   0.722029D+01  0.293915D+02  0.171527D+02 -0.685052D+01 -0.269923D+01
      6   0.237254D+01  0.169853D+02  0.900067D+01 -0.304385D+01  0.255671D+01
               191           192           193           194           195 
      1   0.252992D+02 -0.130097D+02 -0.304639D+02 -0.285206D+02  0.920647D+01
      2  -0.151080D+02  0.426458D+01  0.293257D+02  0.288330D+02 -0.908168D+01
      3  -0.101912D+02  0.874510D+01  0.113823D+01 -0.312347D+00 -0.124794D+00
      4   0.285092D+02 -0.404869D+01 -0.260329D+02  0.609787D+02 -0.302968D+01
      5  -0.532639D+01  0.591927D+00  0.990312D+01 -0.652751D+01 -0.704771D+00
      6   0.249475D+01 -0.250207D+01  0.118795D+01 -0.341658D+01 -0.215441D+01
               196           197           198           199           200 
      1  -0.657934D+00  0.349928D+01  0.258940D+02 -0.109135D+03 -0.510557D+01
      2  -0.519776D+00 -0.337405D+01 -0.228708D+02  0.468916D+02  0.383217D+00
      3   0.117771D+01 -0.125229D+00 -0.302319D+01  0.622436D+02  0.472235D+01
      4   0.669013D+01 -0.884999D+01  0.456840D+00 -0.909575D+01 -0.332143D+02
      5   0.497160D+02  0.625887D+01 -0.615787D+01  0.117549D+02  0.159257D+01
      6  -0.229946D+01  0.274583D+01  0.293806D+01 -0.280430D+01  0.259283D+01
               201           202           203           204           205 
      1   0.848099D+01 -0.794566D+02 -0.563208D+01  0.539599D+01  0.197993D+02
      2  -0.345839D+01  0.496680D+02 -0.893138D+01 -0.185482D+01 -0.111975D+02
      3  -0.502260D+01  0.297886D+02  0.145635D+02 -0.354117D+01 -0.860182D+01
      4   0.138703D+01 -0.189737D+01 -0.197984D+02 -0.902224D+00 -0.188152D+01
      5   0.381491D+01  0.578195D+01  0.606605D+00 -0.733429D+01  0.241025D+01
      6   0.979276D-01 -0.374461D+01  0.378929D+01  0.466286D+01 -0.333819D+01
               206           207           208           209           210 
      1  -0.500627D+01 -0.197016D+02 -0.520008D+01 -0.285325D+02  0.819998D+01
      2   0.711290D+01  0.432473D+01  0.121041D+01  0.160769D+02 -0.900911D+00
      3  -0.210663D+01  0.153769D+02  0.398966D+01  0.124556D+02 -0.729907D+01
      4   0.230306D+01 -0.248988D+02 -0.246304D+02  0.840974D+01  0.440296D+01
      5  -0.267255D+02  0.975507D+01  0.304252D+01  0.433533D+01  0.258007D+02
      6   0.168109D+02 -0.762249D+00  0.940960D+00 -0.248097D+01  0.307620D+01
               211           212           213           214           215 
      1  -0.174585D+01  0.120472D+02  0.661071D+00  0.216362D+01  0.914484D+00
      2  -0.347852D+01 -0.362701D+01  0.172481D+01 -0.101644D+00 -0.338350D+00
      3   0.522438D+01 -0.842021D+01 -0.238589D+01 -0.206197D+01 -0.576134D+00
      4   0.360645D+02 -0.187946D+02 -0.879021D+00 -0.118290D+01  0.357548D-02
      5  -0.339413D+00  0.132985D+01  0.614773D+01  0.920164D+01 -0.672287D+01
      6  -0.959265D+00  0.214351D+01  0.710619D+01 -0.336228D+01  0.431201D+01
               216           217           218           219           220 
      1  -0.704203D+00 -0.479924D+02  0.491279D+02 -0.145202D+01  0.550245D+02
      2  -0.411405D+00  0.272852D+02 -0.265011D+02 -0.659070D+00 -0.275120D+02
      3   0.111561D+01  0.207072D+02 -0.226268D+02  0.211109D+01 -0.275125D+02
      4  -0.749989D+01  0.480651D+02 -0.186585D+01 -0.124647D+02 -0.331193D+02
      5  -0.327760D+01 -0.106124D+01 -0.132765D+02 -0.693115D+01 -0.149149D+02
      6  -0.780482D+00 -0.569578D+01 -0.810244D+00 -0.106687D+01 -0.781488D+00
               221           222           223           224           225 
      1  -0.111458D+02 -0.193172D+02 -0.483272D+01 -0.151897D+02  0.291555D+01
      2   0.492147D+01  0.180179D+01 -0.201142D+01  0.196106D+01  0.750145D+00
      3   0.622434D+01  0.175154D+02  0.684414D+01  0.132287D+02 -0.366570D+01
      4  -0.219221D+02 -0.872812D+01 -0.121236D+02 -0.953326D+01 -0.452713D+02
      5  -0.973155D+01 -0.658465D+02 -0.223958D+02 -0.470158D+02  0.198981D+02
      6  -0.116318D+01 -0.138726D+02 -0.965492D+01 -0.110057D+02  0.715050D+01
               226           227           228           229           230 
      1  -0.547652D+01  0.138337D+02 -0.463794D+00  0.530528D+01 -0.481035D+02
      2   0.637852D+01 -0.136288D+02  0.510275D+00 -0.464491D+01  0.601308D+02
      3  -0.902000D+00 -0.204941D+00 -0.464817D-01 -0.660371D+00 -0.120273D+02
      4   0.140040D+01  0.437405D+01 -0.808798D+00  0.317351D+01  0.190794D+02
      5   0.219482D+00 -0.110505D+01  0.101085D+01 -0.199575D+00  0.104244D+01
      6  -0.196611D+00 -0.247192D+00 -0.152908D+01  0.394363D+00 -0.292913D+01
               231           232           233           234           235 
      1   0.382099D+01  0.211918D+00  0.321321D+01 -0.163639D+01  0.436699D+02
      2  -0.379495D+01 -0.577181D-01 -0.426278D+01  0.215215D+01 -0.171121D+02
      3  -0.260457D-01 -0.154199D+00  0.104957D+01 -0.515755D+00 -0.265578D+02
      4  -0.129741D+01 -0.559152D+00 -0.260167D+01 -0.129436D+01  0.323469D+02
      5   0.188457D+01  0.150216D+01 -0.893206D+00 -0.837961D-01 -0.828211D+01
      6   0.711079D+01  0.651702D-01  0.256111D+01 -0.864836D+00 -0.310661D+01
               236           237           238           239           240 
      1   0.124891D+02 -0.575011D+01  0.155264D+02  0.805872D+01 -0.173498D+01
      2  -0.341255D-01  0.240125D+01  0.328846D+01  0.103084D+02 -0.623934D+00
      3  -0.124550D+02  0.334886D+01 -0.188149D+02 -0.183671D+02  0.235891D+01
      4   0.253561D+02 -0.537189D+01  0.383982D+02  0.398805D+02 -0.705646D+01
      5  -0.379827D+01  0.471979D+01 -0.580298D+01 -0.477047D+01  0.619367D+01
      6  -0.244378D+01  0.246858D+01 -0.404062D+01 -0.444857D+01  0.495988D+01
               241           242           243           244           245 
      1  -0.739540D+01 -0.223836D+01 -0.652874D+00  0.733012D+00 -0.613592D+01
      2   0.185681D+01 -0.721698D+00  0.101267D+01  0.472401D+01 -0.239033D+01
      3   0.553859D+01  0.296006D+01 -0.359798D+00 -0.545702D+01  0.852625D+01
      4  -0.801381D+01 -0.674504D+01  0.281524D+01 -0.191395D+02  0.206544D+02
      5  -0.596123D+00  0.182677D+01 -0.128381D+01  0.247987D+01 -0.133551D+01
      6  -0.408027D+00  0.197394D+01 -0.105681D+01 -0.854518D+00  0.900101D-01
               246           247           248           249           250 
      1   0.981422D+00 -0.328733D+01 -0.153269D+02  0.105161D+01  0.642221D+00
      2  -0.464767D+00 -0.838454D+01  0.327195D+02 -0.856148D+00 -0.307784D-01
      3  -0.516654D+00  0.116719D+02 -0.173926D+02 -0.195463D+00 -0.611443D+00
      4  -0.299844D+00  0.280418D+02 -0.530723D+02  0.292782D+01 -0.997544D+00
      5   0.275217D+01 -0.293857D+01  0.608301D+01 -0.635254D+01  0.208067D+01
      6  -0.170706D+01  0.155398D+01 -0.324558D+01  0.647758D+01 -0.245448D+01
               251           252           253           254           255 
      1   0.228410D+01 -0.121064D+01 -0.336973D+01  0.124721D+01 -0.122389D+02
      2  -0.258461D+01  0.236517D+01  0.478281D+00 -0.644677D+00  0.467505D+01
      3   0.300512D+00 -0.115453D+01  0.289145D+01 -0.602535D+00  0.756388D+01
      4   0.353299D+01 -0.157952D+01 -0.628721D+00 -0.965371D+00 -0.152545D+01
      5  -0.727718D+00  0.335515D+00 -0.957490D+01 -0.948553D+00 -0.785716D+00
      6   0.258526D+01 -0.798521D+00 -0.166246D+01  0.511148D+00 -0.117182D+01
               256           257           258           259           260 
      1   0.115120D+02  0.279318D+01 -0.514190D+00 -0.341108D+02 -0.115368D+01
      2  -0.686972D+01 -0.754851D+00  0.273226D+01  0.230483D+02  0.328295D+01
      3  -0.464227D+01 -0.203833D+01 -0.221807D+01  0.110625D+02 -0.212928D+01
      4   0.203155D+02  0.246816D+02 -0.200493D+02 -0.158679D+02 -0.209251D+02
      5  -0.142026D+02 -0.195459D+02  0.328443D+02  0.370919D+02  0.295159D+02
      6  -0.497807D+01 -0.822141D+01  0.114554D+02  0.824612D+01  0.108935D+02
               261           262           263           264           265 
      1   0.206466D+01  0.177832D+02  0.785124D+01  0.131197D+02  0.273107D+02
      2  -0.149044D+02 -0.777338D+01 -0.291117D+01 -0.635738D+01 -0.104244D+02
      3   0.128397D+02 -0.100098D+02 -0.494006D+01 -0.676229D+01 -0.168863D+02
      4   0.285553D+02  0.966362D+01  0.704375D+01  0.723852D+01  0.348218D+02
      5  -0.660864D+02  0.156506D+02  0.685744D+01  0.353734D+01  0.184526D+02
      6  -0.147369D+02  0.317145D+01  0.852870D+00 -0.129937D+00  0.459981D+01
               266           267           268           269           270 
      1   0.144164D+02  0.898756D+01  0.448459D+02  0.122728D+02  0.922113D+01
      2  -0.140883D+00 -0.775754D+00 -0.217746D+02 -0.298004D+01 -0.638391D+01
      3  -0.142755D+02 -0.821180D+01 -0.230713D+02 -0.929276D+01 -0.283722D+01
      4   0.411402D+02  0.228036D+02  0.254722D+02  0.284362D+02  0.272286D+02
      5   0.240426D+02  0.300338D+02  0.296261D+02  0.288982D+02  0.409760D+02
      6   0.635710D+01  0.791783D+01  0.738561D+01  0.817126D+01  0.819671D+01
               271           272           273           274           275 
      1   0.176070D+03 -0.324725D+02 -0.112507D+02 -0.732084D+02  0.255256D+02
      2  -0.922100D+02  0.170343D+02  0.713071D+01  0.379263D+02 -0.120366D+02
      3  -0.838599D+02  0.154382D+02  0.411995D+01  0.352821D+02 -0.134890D+02
      4  -0.360723D+02  0.202815D+02  0.366055D+01  0.321451D+02 -0.234746D+02
      5  -0.155635D+02  0.395608D+01  0.177692D+02  0.802748D+01 -0.167763D+01
      6   0.329178D+01 -0.149944D+01 -0.561851D+00 -0.257775D+01  0.202871D+01
               276           277           278           279 
      1   0.594433D+01 -0.687726D+01  0.275851D+01  0.152380D+02
      2  -0.338930D+01  0.520209D+01 -0.123094D+01 -0.922212D+01
      3  -0.255502D+01  0.167516D+01 -0.152757D+01 -0.601591D+01
      4  -0.159994D+01  0.320395D+01  0.290795D+00 -0.812089D+00
      5  -0.665294D+01  0.228156D+02 -0.683541D+00 -0.570739D+01
      6   0.200468D+01 -0.109028D+01  0.244581D+01  0.304672D-01
 Leave Link  716 at Fri Aug 13 13:12:55 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.302358D+03  0.134869D+02 -0.155743D+02
      2   0.134869D+02  0.171208D+03 -0.536301D+01
      3  -0.155743D+02 -0.536301D+01  0.116972D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.956553D+01 -0.284682D+02  0.121656D+02
      2   0.766998D+02  0.160865D+02  0.140470D+02
      3   0.412689D+02  0.527201D+02 -0.200499D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.323074D+03 -0.398758D+02  0.863563D+02
      2   0.152199D+03  0.205795D+02 -0.435571D+02
      3   0.170875D+03  0.192963D+02 -0.427992D+02
      4  -0.504208D+02 -0.113074D+03  0.383396D+02
      5   0.200488D+02  0.423738D+02  0.368284D+02
      6   0.112855D+02 -0.682394D+02 -0.332369D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.400635D+02  0.896475D+01 -0.375928D+01 -0.448530D+02 -0.585631D+01
      2   0.896475D+01  0.503933D+01 -0.174566D+01 -0.585631D+01 -0.540971D+01
      3  -0.375928D+01 -0.174566D+01 -0.835023D-02  0.495738D+01  0.100664D+01
                 6             7             8             9            10 
      1   0.495738D+01  0.853392D+00 -0.379770D+00  0.124653D+01 -0.322777D+02
      2   0.100664D+01 -0.379770D+00 -0.190308D+00 -0.790156D+00 -0.738905D+01
      3  -0.584081D+00  0.124653D+01 -0.790156D+00  0.139270D+00  0.286369D+01
                11            12            13            14            15 
      1  -0.738905D+01  0.286369D+01  0.492237D+02  0.710240D+01 -0.561322D+01
      2  -0.104240D+01  0.497939D+00  0.710240D+01  0.715242D+01 -0.165434D+01
      3   0.497939D+00 -0.435654D+00 -0.561322D+01 -0.165434D+01  0.588877D+00
                16            17            18            19            20 
      1  -0.115356D+01  0.206907D+00 -0.541105D+00 -0.467339D+02 -0.101219D+02
      2   0.206907D+00 -0.378025D+00  0.992647D+00 -0.101219D+02 -0.987026D+01
      3  -0.541105D+00  0.992647D+00 -0.275704D+00  0.363102D+01  0.171353D+01
                21            22            23            24            25 
      1   0.363102D+01 -0.179041D+02 -0.187692D+01  0.128411D+00  0.754383D+01
      2   0.171353D+01 -0.187692D+01 -0.615100D+01  0.512148D+00  0.145761D+00
      3  -0.628993D+00  0.128411D+00  0.512148D+00 -0.205900D+01  0.229305D+00
                26            27            28            29            30 
      1   0.145761D+00  0.229305D+00  0.498323D+02  0.512658D+01 -0.720654D+00
      2   0.112258D+01 -0.409715D+01  0.512658D+01  0.452903D+01 -0.645303D+00
      3  -0.409715D+01  0.639704D+00 -0.720654D+00 -0.645303D+00  0.209998D+01
                31            32            33            34            35 
      1   0.709106D+01  0.199542D+01 -0.358580D-03 -0.386880D+01 -0.395636D-01
      2   0.199542D+01  0.163813D+02 -0.277584D+01 -0.395636D-01 -0.290075D+01
      3  -0.358580D-03 -0.277584D+01  0.427324D+00  0.652299D+01  0.134520D+01
                36            37            38            39            40 
      1   0.652299D+01  0.823396D+01 -0.201927D+01 -0.232088D+00  0.787055D+01
      2   0.134520D+01 -0.201927D+01  0.132050D+02 -0.133481D+01  0.182478D+01
      3  -0.145799D+01 -0.232088D+00 -0.133481D+01  0.178857D+01  0.472579D+00
                41            42            43            44            45 
      1   0.182478D+01  0.472579D+00 -0.870088D+00  0.104155D+01  0.478832D+01
      2  -0.910796D+01  0.155711D+01  0.104155D+01 -0.439645D+00  0.208678D+01
      3   0.155711D+01  0.662204D+00  0.478832D+01  0.208678D+01 -0.239645D+01
                46            47            48            49            50 
      1  -0.136589D+02  0.223179D+01  0.160944D+01  0.237723D+00  0.245599D+01
      2   0.223179D+01 -0.940092D+01  0.194747D+01  0.245599D+01  0.557580D+00
      3   0.160944D+01  0.194747D+01 -0.167036D+01 -0.194212D+00  0.385748D+00
                51            52            53            54            55 
      1  -0.194212D+00  0.144737D+01 -0.912833D-02 -0.156842D+01  0.433658D+01
      2   0.385748D+00 -0.912833D-02  0.214503D+01  0.423543D+01 -0.335251D+01
      3   0.139000D+01 -0.156842D+01  0.423543D+01 -0.816602D+00 -0.241767D+00
                56            57            58            59            60 
      1  -0.335251D+01 -0.241767D+00 -0.203335D+01 -0.376664D+01  0.281856D+00
      2   0.543224D+01 -0.286056D+00 -0.376664D+01 -0.252920D+01  0.905419D-01
      3  -0.286056D+00  0.163656D+01  0.281856D+00  0.905419D-01 -0.136108D+01
                61            62            63            64            65 
      1  -0.278832D+00  0.320290D+00  0.458974D+00  0.576489D+00 -0.186446D+01
      2   0.320290D+00 -0.138024D+01 -0.418009D+01 -0.186446D+01  0.824380D+00
      3   0.458974D+00 -0.418009D+01  0.542643D+00  0.458522D-02  0.189927D+00
                66            67            68            69            70 
      1   0.458522D-02 -0.274105D+01  0.277665D+01  0.914232D-01 -0.185314D+00
      2   0.189927D+00  0.277665D+01 -0.640802D+01 -0.220909D-01  0.110871D+00
      3   0.420720D-01  0.914232D-01 -0.220909D-01 -0.699875D+00 -0.953369D-01
                71            72            73            74            75 
      1   0.110871D+00 -0.953369D-01  0.607292D+01  0.331117D+01 -0.108309D+01
      2   0.478739D+00  0.221341D-01  0.331117D+01  0.329193D+01 -0.762481D+00
      3   0.221341D-01 -0.148557D-01 -0.108309D+01 -0.762481D+00  0.724583D+00
                76            77            78            79            80 
      1   0.392411D+01  0.432583D+01 -0.976802D+00 -0.136406D+01 -0.885744D+00
      2   0.432583D+01  0.523350D+01 -0.108141D+01 -0.885744D+00 -0.854750D+00
      3  -0.976802D+00 -0.108141D+01  0.959928D+00 -0.235311D+00  0.507794D+00
                81            82            83            84            85 
      1  -0.235311D+00 -0.996731D+00  0.154778D+01 -0.829173D-01  0.706709D+00
      2   0.507794D+00  0.154778D+01 -0.221773D+01  0.985930D-01 -0.134028D+01
      3  -0.165143D+00 -0.829173D-01  0.985930D-01 -0.199296D+00  0.219561D+00
                86            87            88            89            90 
      1  -0.134028D+01  0.219561D+00 -0.839926D-02 -0.653893D-01  0.152426D+00
      2   0.106328D+02 -0.106565D+01 -0.653893D-01 -0.101509D+01  0.223652D+00
      3  -0.106565D+01  0.103054D+01  0.152426D+00  0.223652D+00 -0.146714D+00
                91            92            93            94            95 
      1  -0.214183D+02 -0.302675D+01 -0.186425D+01 -0.138221D+01 -0.199648D+01
      2  -0.302675D+01 -0.854701D+00 -0.266429D+00 -0.199648D+01  0.127981D+01
      3  -0.186425D+01 -0.266429D+00 -0.291858D+01  0.400121D+00  0.316153D+01
                96            97            98            99           100 
      1   0.400121D+00 -0.723766D+01 -0.611545D+00 -0.585649D+01 -0.721555D+01
      2   0.316153D+01 -0.611545D+00  0.217693D+01 -0.165413D+01  0.151110D+01
      3  -0.615904D+00 -0.585649D+01 -0.165413D+01 -0.427473D+00  0.175801D+01
               101           102           103           104           105 
      1   0.151110D+01  0.175801D+01 -0.160462D+01  0.219213D+01  0.597301D+00
      2   0.165887D+01  0.716300D+00  0.219213D+01 -0.149656D+01 -0.325621D+01
      3   0.716300D+00  0.340249D+01  0.597301D+00 -0.325621D+01  0.101081D+01
               106           107           108           109           110 
      1   0.200343D+01  0.771700D+00  0.234136D+01 -0.433590D+01 -0.120853D+01
      2   0.771700D+00 -0.238976D+01  0.236582D+01 -0.120853D+01 -0.557997D+00
      3   0.234136D+01  0.236582D+01  0.309120D+01 -0.245080D+00 -0.452793D+00
               111           112           113           114           115 
      1  -0.245080D+00 -0.133119D+01  0.628947D+00  0.441174D-02  0.123506D+02
      2  -0.452793D+00  0.628947D+00 -0.237426D+00 -0.147068D+00  0.446825D+00
      3   0.710323D+00  0.441174D-02 -0.147068D+00  0.444213D+00  0.535008D+01
               116           117           118           119           120 
      1   0.446825D+00  0.535008D+01  0.382469D+01  0.178942D+01 -0.152216D+01
      2   0.249974D+00  0.345477D+00  0.178942D+01  0.100112D+01 -0.513939D+00
      3   0.345477D+00  0.211503D+00 -0.152216D+01 -0.513939D+00  0.165351D+01
               121           122           123           124           125 
      1   0.562300D+01  0.167729D+01 -0.109875D+01 -0.228068D+01 -0.518430D+00
      2   0.167729D+01  0.247518D+01 -0.192852D+01 -0.518430D+00 -0.187654D+01
      3  -0.109875D+01 -0.192852D+01  0.180637D+01  0.248300D+01  0.160561D+01
               126           127           128           129           130 
      1   0.248300D+01 -0.780523D+00 -0.226398D+00 -0.117008D+01  0.379120D+00
      2   0.160561D+01 -0.226398D+00 -0.107811D+01 -0.943754D+00 -0.325254D+00
      3  -0.335989D+01 -0.117008D+01 -0.943754D+00 -0.253520D+01 -0.111937D+00
               131           132           133           134           135 
      1  -0.325254D+00 -0.111937D+00 -0.171667D+01  0.313070D+00 -0.399360D+00
      2  -0.103957D+01 -0.954132D+00  0.313070D+00 -0.186617D+01 -0.245715D+01
      3  -0.954132D+00 -0.128476D+01 -0.399360D+00 -0.245715D+01 -0.713407D+01
               136           137           138           139           140 
      1   0.437146D+00 -0.639556D+00  0.292382D+00 -0.131601D+01  0.379054D+00
      2  -0.639556D+00 -0.915327D+00  0.931115D-01  0.379054D+00 -0.429509D+01
      3   0.292382D+00  0.931115D-01 -0.752706D+00  0.463504D-01  0.147281D+01
               141           142           143           144           145 
      1   0.463504D-01  0.114632D+01 -0.634919D+00 -0.275596D+00  0.119859D+02
      2   0.147281D+01 -0.634919D+00  0.284616D+01 -0.145942D+01 -0.307042D+01
      3  -0.160863D+01 -0.275596D+00 -0.145942D+01  0.174027D+01 -0.217643D+01
               146           147           148           149           150 
      1  -0.307042D+01 -0.217643D+01 -0.165057D+01  0.128164D+01  0.150822D+00
      2   0.188745D+01  0.748959D+00  0.128164D+01 -0.494071D+00  0.753201D-02
      3   0.748959D+00  0.152493D+01  0.150822D+00  0.753201D-02 -0.123484D+00
               151           152           153           154           155 
      1  -0.135198D+01  0.233623D+00  0.123461D+01  0.193669D+02  0.270377D+01
      2   0.233623D+00  0.577495D-01 -0.542215D+00  0.270377D+01  0.234246D+01
      3   0.123461D+01 -0.542215D+00 -0.943753D+00  0.149538D+01  0.681504D+00
               156           157           158           159           160 
      1   0.149538D+01  0.359971D+01  0.419387D+01  0.253052D+00  0.231858D+01
      2   0.681504D+00  0.419387D+01  0.202761D+01  0.462013D+00  0.536270D+00
      3   0.313642D+01  0.253052D+00  0.462013D+00  0.390113D+00  0.284792D+01
               161           162           163           164           165 
      1   0.536270D+00  0.284792D+01  0.132528D+02  0.477528D+00  0.490519D+01
      2  -0.103514D+00  0.642369D+00  0.477528D+00 -0.554776D+00 -0.246190D+00
      3   0.642369D+00  0.592518D+00  0.490519D+01 -0.246190D+00  0.110904D+01
               166           167           168           169           170 
      1   0.223101D+01 -0.371394D+00  0.416204D+00  0.136760D+01 -0.453685D+00
      2  -0.371394D+00 -0.332493D+00  0.120007D+01 -0.453685D+00  0.632952D+00
      3   0.416204D+00  0.120007D+01 -0.263979D-01  0.481107D+00  0.182603D+00
               171           172           173           174           175 
      1   0.481107D+00 -0.114368D+02  0.112915D-01 -0.298180D+01 -0.128197D+01
      2   0.182603D+00  0.112915D-01 -0.492531D-01  0.159708D+00  0.335642D+00
      3   0.675769D+01 -0.298180D+01  0.159708D+00 -0.316287D+01 -0.386498D+00
               176           177           178           179           180 
      1   0.335642D+00 -0.386498D+00 -0.752629D+01  0.231299D-01 -0.306450D+01
      2  -0.116738D+00  0.640836D+00  0.231299D-01  0.110067D+01 -0.160711D+00
      3   0.640836D+00 -0.552653D+00 -0.306450D+01 -0.160711D+00 -0.283789D+00
               181           182           183           184           185 
      1  -0.578357D+01  0.132964D+01 -0.153070D+00 -0.141667D+02 -0.283001D+01
      2   0.132964D+01 -0.993654D+01  0.740866D-02 -0.283001D+01  0.529962D+01
      3  -0.153070D+00  0.740866D-02 -0.171787D+01  0.121938D+01 -0.337535D+00
               186           187           188           189           190 
      1   0.121938D+01  0.108443D+01 -0.630808D+00 -0.435340D+01 -0.378201D+02
      2  -0.337535D+00 -0.630808D+00  0.772719D-01 -0.260554D+01 -0.543877D+01
      3  -0.113436D+01 -0.435340D+01 -0.260554D+01  0.178136D+01  0.313246D+01
               191           192           193           194           195 
      1  -0.543877D+01  0.313246D+01 -0.111303D+01 -0.229381D+01 -0.703277D+00
      2  -0.894163D+01  0.105547D+01 -0.229381D+01 -0.125335D+02  0.930805D+00
      3   0.105547D+01 -0.290743D+01 -0.703277D+00  0.930805D+00  0.377168D+00
               196           197           198           199           200 
      1   0.295718D+01  0.783302D-01 -0.715417D+01  0.368539D+02  0.963039D+01
      2   0.783302D-01  0.224097D+01 -0.831056D+00  0.963039D+01  0.756287D+01
      3  -0.715417D+01 -0.831056D+00  0.180904D+01 -0.403874D+01 -0.734366D+00
               201           202           203           204           205 
      1  -0.403874D+01  0.162253D+02  0.340296D+01 -0.176702D+01 -0.621445D+01
      2  -0.734366D+00  0.340296D+01  0.595845D+01 -0.165517D+00 -0.952913D+00
      3   0.580621D+00 -0.176702D+01 -0.165517D+00  0.195220D+01  0.390750D+00
               206           207           208           209           210 
      1  -0.952913D+00  0.390750D+00  0.920645D+01  0.381054D+01 -0.153919D+01
      2  -0.540270D+00  0.477450D+01  0.381054D+01  0.321729D+01 -0.739846D+00
      3   0.477450D+01 -0.126978D+01 -0.153919D+01 -0.739846D+00 -0.108671D+00
               211           212           213           214           215 
      1  -0.164856D+01 -0.312272D+01  0.399850D+00 -0.826434D+00 -0.391349D-01
      2  -0.312272D+01  0.147606D+01  0.197712D+00 -0.391349D-01 -0.377598D+00
      3   0.399850D+00  0.197712D+00 -0.802886D+00 -0.480106D-01  0.794547D+00
               216           217           218           219           220 
      1  -0.480106D-01 -0.863043D+00 -0.432261D+01  0.858793D+00 -0.431796D+01
      2   0.794547D+00 -0.432261D+01 -0.736252D+00  0.114130D+01  0.260700D+01
      3  -0.640840D-02  0.858793D+00  0.114130D+01  0.446774D-02  0.118670D+01
               221           222           223           224           225 
      1   0.260700D+01  0.118670D+01  0.105668D+01  0.100567D+01  0.186690D+01
      2   0.144740D+01  0.670950D+00  0.100567D+01  0.870794D+00  0.409271D+01
      3   0.670950D+00  0.542463D+01  0.186690D+01  0.409271D+01 -0.192464D+01
               226           227           228           229           230 
      1   0.590560D+00 -0.145806D+01  0.816298D-01 -0.489644D+00  0.753812D+00
      2  -0.145806D+01  0.200162D+01 -0.907673D-02  0.753812D+00 -0.961073D+01
      3   0.816298D-01 -0.907673D-02  0.160798D+00 -0.116535D+00  0.704968D+00
               231           232           233           234           235 
      1  -0.116535D+00 -0.236226D-01  0.725885D-01 -0.924520D-01 -0.703498D+01
      2   0.704968D+00  0.725885D-01  0.825870D+00 -0.130889D+00 -0.304730D+01
      3  -0.911975D+00 -0.924520D-01 -0.130889D+00  0.116658D+00  0.111858D+01
               236           237           238           239           240 
      1  -0.304730D+01  0.111858D+01 -0.443244D+01 -0.432913D+01  0.900943D+00
      2  -0.266597D+01  0.557239D+00 -0.432913D+01 -0.473304D+01  0.887463D+00
      3   0.557239D+00 -0.503288D+00  0.900943D+00  0.887463D+00 -0.798608D+00
               241           242           243           244           245 
      1   0.142922D+01  0.849678D+00  0.251391D+00 -0.126194D+01  0.248235D+01
      2   0.849678D+00  0.794440D+00 -0.236356D+00  0.248235D+01 -0.209146D+01
      3   0.251391D+00 -0.236356D+00  0.488556D-01 -0.198404D+00 -0.616955D-01
               246           247           248           249           250 
      1  -0.198404D+00  0.306731D+01 -0.358075D+01  0.171936D+00 -0.250901D+00
      2  -0.616955D-01 -0.358075D+01  0.827610D+01 -0.442822D+00  0.830541D-01
      3  -0.282338D+00  0.171936D+00 -0.442822D+00  0.966022D+00 -0.200441D+00
               251           252           253           254           255 
      1   0.830541D-01 -0.200441D+00  0.115121D+01  0.150854D+00  0.691209D+00
      2  -0.665155D+00  0.914378D-01  0.150854D+00  0.414379D+00 -0.760243D-01
      3   0.914378D-01 -0.465295D-01  0.691209D+00 -0.760243D-01  0.477359D+00
               256           257           258           259           260 
      1  -0.139547D+01 -0.149600D+01  0.111387D+01  0.387851D+01  0.123091D+01
      2  -0.149600D+01 -0.210166D+01  0.183759D+01  0.123091D+01  0.184557D+01
      3   0.111387D+01  0.183759D+01 -0.286852D+01 -0.294902D+01 -0.269834D+01
               261           262           263           264           265 
      1  -0.294902D+01 -0.789049D+00 -0.569733D+00 -0.135365D+01 -0.283469D+01
      2  -0.269834D+01 -0.569733D+00 -0.205048D+00 -0.497628D+00 -0.258865D+01
      3   0.618627D+01 -0.135365D+01 -0.497628D+00 -0.670816D-01 -0.144318D+01
               266           267           268           269           270 
      1  -0.258865D+01 -0.144318D+01 -0.484394D+01 -0.198057D+01 -0.224994D+01
      2  -0.337943D+01 -0.198901D+01 -0.198057D+01 -0.243980D+01 -0.243866D+01
      3  -0.198901D+01 -0.245461D+01 -0.224994D+01 -0.243866D+01 -0.344110D+01
               271           272           273           274           275 
      1  -0.133784D+02  0.267638D+01  0.920278D+00  0.631741D+01 -0.215906D+01
      2   0.267638D+01 -0.128960D+01 -0.292416D+00 -0.215906D+01  0.177834D+01
      3   0.920278D+00 -0.292416D+00 -0.115305D+01 -0.600354D+00  0.937037D-01
               276           277           278           279 
      1  -0.600354D+00  0.564568D+00 -0.268631D+00 -0.156210D+01
      2   0.937037D-01 -0.268631D+00 -0.480506D-01 -0.268518D-01
      3   0.456407D+00 -0.156210D+01 -0.268518D-01  0.453904D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.255498D+01  0.428169D+01 -0.405136D+00  0.534877D+01  0.559940D+01
      2   0.145280D+02  0.648778D+01 -0.950560D+00 -0.142303D+02  0.528729D+00
      3  -0.437650D+01  0.415551D+02 -0.329983D+01  0.316374D+02  0.248395D+02
                 6             7             8             9            10 
      1  -0.122816D+01  0.335632D+01  0.716538D+01 -0.916493D+00  0.201018D+01
      2   0.976382D+00 -0.188493D+02 -0.258612D+01  0.227379D+01 -0.175701D+02
      3  -0.485392D+01 -0.251896D+01 -0.879663D+01 -0.766778D-01 -0.236039D+01
                11            12            13            14            15 
      1   0.694132D+01 -0.644339D+00  0.659039D+01  0.109412D+01 -0.234523D+00
      2   0.991942D+00 -0.225095D+01  0.206154D+02  0.387973D+01 -0.288603D+01
      3   0.480820D+02 -0.403976D+01  0.637460D+02  0.232703D+02 -0.854085D+01
                16            17            18            19            20 
      1   0.211434D+01  0.639960D+01 -0.103208D+01  0.353466D+01 -0.450446D+00
      2  -0.211365D+02 -0.159069D+01  0.246264D+01 -0.226928D+02 -0.812903D+01
      3  -0.509621D+01 -0.888281D+01  0.236178D+01  0.127014D+02 -0.327117D+02
                21            22            23            24            25 
      1  -0.451175D+00 -0.632220D+00  0.393266D+01 -0.227165D+01  0.530292D+01
      2   0.464972D+00 -0.118217D+02 -0.160477D+01 -0.136757D+01 -0.173210D+02
      3   0.134115D+01  0.257829D+01  0.254133D+01 -0.225708D-01  0.353453D+01
                26            27            28            29            30 
      1   0.101259D+01  0.275180D+01  0.277883D+01  0.723349D+00 -0.340015D+00
      2  -0.726307D+01  0.229459D+01  0.292002D+02  0.366048D+01  0.106184D+01
      3   0.522481D+01  0.297164D+01  0.110826D+02  0.868452D+01 -0.650437D+00
                31            32            33            34            35 
      1   0.575741D+01 -0.602305D+01  0.263477D+01 -0.159585D+01  0.150818D+02
      2   0.368095D+01 -0.141822D+00  0.333080D+00 -0.127429D+02 -0.119102D+01
      3   0.287090D+02  0.333036D+01  0.247543D+01 -0.351201D+01 -0.179667D+01
                36            37            38            39            40 
      1  -0.258451D+01  0.216716D+01 -0.515145D+01 -0.341568D+01 -0.364119D+01
      2   0.124192D+01  0.245808D+01  0.366205D+00  0.202841D+01  0.472719D+01
      3  -0.388679D+00  0.285984D+02  0.232302D+01 -0.848468D+00 -0.295721D+01
                41            42            43            44            45 
      1   0.564886D+01 -0.125486D+01 -0.168359D+02  0.754515D+01  0.155283D+01
      2   0.264486D+01  0.830131D+00 -0.819565D+01  0.748468D+01  0.112074D+01
      3   0.393373D+01 -0.182664D+01 -0.364338D+00 -0.194544D+01  0.747817D+01
                46            47            48            49            50 
      1  -0.548318D+01 -0.458179D-01  0.370628D+01 -0.188485D+01 -0.435643D+01
      2  -0.825843D+01 -0.126649D+01  0.109007D+01 -0.177980D+01 -0.143875D+01
      3  -0.495290D+02 -0.337764D+02  0.636181D+01 -0.878501D+01 -0.246328D+02
                51            52            53            54            55 
      1  -0.277887D+01  0.921100D+01 -0.520294D+01 -0.316560D+01 -0.123945D+01
      2   0.950454D+00 -0.171935D+02  0.136109D+01  0.164304D+00 -0.616155D+01
      3   0.325794D+01  0.773377D+01  0.602827D+01 -0.759595D+01 -0.285375D+02
                56            57            58            59            60 
      1  -0.602177D+01  0.409471D+01  0.118488D+01 -0.329513D+01 -0.185496D+01
      2  -0.394161D+01 -0.358825D+01 -0.363510D+01 -0.327483D+01  0.356633D+01
      3  -0.349987D+02  0.466014D+01 -0.229366D+01 -0.283588D+02  0.148249D+01
                61            62            63            64            65 
      1   0.623298D+01 -0.293161D+01 -0.647209D+00  0.769670D+00  0.509553D+00
      2  -0.220611D+02  0.622884D+01  0.703984D+00 -0.232585D+00 -0.348452D+00
      3   0.389245D+01  0.583572D+01 -0.118124D+02  0.330634D+00  0.986130D+00
                66            67            68            69            70 
      1   0.482652D+00 -0.441058D+00  0.175362D+01 -0.338469D+01  0.140713D+00
      2  -0.138135D+00 -0.676279D+00  0.885881D+00 -0.110480D+01 -0.176011D+01
      3  -0.204126D+00  0.526834D+01  0.428948D+01 -0.546293D+00 -0.328351D+00
                71            72            73            74            75 
      1   0.216911D+01 -0.229280D+00 -0.140286D+00 -0.118499D+01 -0.235629D+01
      2   0.137430D+01 -0.814058D-02  0.348054D+01  0.122573D+01  0.168742D+01
      3  -0.415388D+00 -0.814892D+00  0.906208D+01  0.153793D+00 -0.818158D+00
                76            77            78            79            80 
      1  -0.136255D+01 -0.204008D+01 -0.270147D+01  0.314329D+01  0.127411D+01
      2   0.172977D+01  0.141096D+01  0.219518D+01 -0.319888D+01 -0.445355D-01
      3   0.205538D+01 -0.148785D+01 -0.128804D+00 -0.182736D+01  0.144534D+00
                81            82            83            84            85 
      1  -0.228948D+00 -0.114811D+01  0.145368D+01  0.127645D+01  0.334721D+00
      2  -0.611786D+00 -0.792163D+00  0.841376D+00  0.612499D+00  0.721358D+00
      3  -0.125583D+01 -0.497404D+01  0.269599D+01  0.502189D-01  0.531323D+01
                86            87            88            89            90 
      1  -0.404248D+01 -0.447000D+01 -0.143869D+01  0.262059D+01  0.464448D+00
      2  -0.121361D+01 -0.851327D+00 -0.189333D+00 -0.794886D+00  0.260150D+00
      3  -0.375192D+01  0.687545D+00  0.550470D+00  0.501376D+00  0.112069D+01
                91            92            93            94            95 
      1  -0.537242D+00  0.954982D+00 -0.211330D+00 -0.175178D+01 -0.146115D+00
      2  -0.204969D+02 -0.202940D+01 -0.910329D+01  0.511815D+00  0.832721D+01
      3   0.141131D+01 -0.190761D+01 -0.114391D+01  0.158680D+02 -0.650696D+01
                96            97            98            99           100 
      1  -0.313818D+01 -0.238493D+01  0.333920D+01  0.324466D+01  0.524621D+00
      2  -0.161994D+01 -0.374030D+02 -0.528681D+01 -0.519902D+01 -0.275762D+01
      3  -0.126120D+02 -0.815982D+00 -0.114549D+02  0.542010D+01  0.101971D+02
               101           102           103           104           105 
      1  -0.300985D+01  0.389261D+01 -0.105859D+01 -0.374252D+01  0.548494D+01
      2   0.431852D+01  0.161523D+02  0.126944D+01 -0.862740D+01  0.451516D+01
      3  -0.159582D+02 -0.616220D+01 -0.103289D+02  0.995098D+00  0.137675D+02
               106           107           108           109           110 
      1   0.519980D+00  0.100341D+02  0.177928D+01 -0.453349D+01 -0.185490D+01
      2   0.832139D+01  0.919846D+01  0.137148D+02  0.198865D+02  0.248784D+01
      3  -0.500522D+01  0.943575D+01 -0.142725D+02  0.637748D+00  0.154610D+02
               111           112           113           114           115 
      1   0.395688D+01 -0.110902D+02 -0.353122D+01 -0.160441D+02  0.369309D+01
      2   0.935581D+00 -0.595919D+00  0.664280D+00 -0.260300D+01  0.189861D+02
      3   0.181601D+00  0.130125D+02  0.818814D+01  0.266315D+01 -0.239947D+00
               116           117           118           119           120 
      1  -0.443756D+01  0.154065D+01 -0.711293D+00 -0.128707D+01  0.450081D+00
      2  -0.133645D+01  0.225933D+00 -0.274333D+01 -0.595101D+00  0.576900D+01
      3   0.447267D+01 -0.722335D+00 -0.699488D+01 -0.572274D+01  0.195621D+01
               121           122           123           124           125 
      1  -0.162722D+00 -0.236780D+01  0.443997D+00  0.298898D+00  0.275331D+01
      2   0.877877D+00 -0.502733D+01  0.574682D+01  0.534371D+01  0.470735D+01
      3  -0.179922D+01 -0.879368D+01  0.687381D+01  0.158182D+01  0.810547D+01
               126           127           128           129           130 
      1  -0.942087D+00 -0.117661D+01  0.142118D+01 -0.277962D+01  0.363937D+00
      2  -0.898086D+01 -0.719918D+01 -0.302910D+01 -0.940748D+01 -0.150947D+00
      3  -0.614483D+01  0.374987D+01  0.486123D+01  0.601674D+01  0.322142D+01
               131           132           133           134           135 
      1  -0.256613D-01 -0.208628D+01 -0.175103D+01  0.127405D+01 -0.758783D+01
      2  -0.379819D+01 -0.477121D+01 -0.633635D+01 -0.802507D+01 -0.249532D+02
      3   0.407746D+01  0.428200D+01  0.297485D+01  0.641955D+01  0.121231D+02
               136           137           138           139           140 
      1   0.147979D+01  0.156213D+01 -0.210970D+01  0.415094D+00  0.769664D+01
      2   0.201152D+01 -0.525503D+00 -0.198552D+01 -0.687409D+00  0.534763D+01
      3   0.383060D+01  0.545694D+01 -0.147356D+01  0.368348D+01  0.173046D+02
               141           142           143           144           145 
      1  -0.701595D+01 -0.331652D+00 -0.494675D+01  0.658635D+01  0.316200D+00
      2  -0.533630D+01 -0.169560D+01 -0.520041D+01  0.564930D+01  0.673030D+01
      3  -0.686796D+01 -0.144324D+01 -0.114332D+02  0.770242D+01 -0.651609D+01
               146           147           148           149           150 
      1  -0.175882D+01  0.191702D+01 -0.116177D+01  0.678823D+00 -0.123990D+01
      2  -0.317795D+00  0.576559D+01 -0.106672D+01  0.181205D+01 -0.345781D+00
      3  -0.620596D+01 -0.170737D+00 -0.145575D+01  0.801530D+00 -0.130594D+01
               151           152           153           154           155 
      1   0.121860D+01 -0.426310D+00 -0.441916D+00  0.361360D+01  0.194548D+01
      2   0.241019D+01 -0.147485D+01 -0.231138D+01 -0.904690D+01  0.167253D+00
      3   0.109423D+01 -0.113824D+01  0.549863D+00 -0.626610D+01 -0.252847D+02
               156           157           158           159           160 
      1  -0.390608D+01  0.829951D+01  0.247770D+01  0.871456D+00 -0.189264D+01
      2   0.231758D+02  0.228146D+01 -0.126768D+01  0.404611D+01  0.862809D+01
      3  -0.124538D+01 -0.157384D+02 -0.109415D+02 -0.175477D+01 -0.453393D+00
               161           162           163           164           165 
      1   0.320503D+01 -0.185310D+00  0.500583D+01  0.172465D+01  0.108084D+01
      2   0.310482D+01  0.260154D+01 -0.816575D+01 -0.284572D+01  0.997462D+00
      3  -0.303237D+01 -0.183313D+01 -0.343158D+01 -0.322697D+01  0.449019D+00
               166           167           168           169           170 
      1   0.399289D+01 -0.235203D+00  0.441954D+01  0.174215D+01  0.741177D+01
      2  -0.252016D+01  0.550619D+01  0.344698D+00 -0.102600D+02  0.677392D+00
      3   0.198839D+01  0.547131D+00 -0.533347D+01  0.130870D+01 -0.272586D+01
               171           172           173           174           175 
      1  -0.125561D+01 -0.520232D+01 -0.157810D+01 -0.183463D+01 -0.507367D+01
      2   0.220286D+02  0.195711D+02  0.144362D+01 -0.551479D+01  0.313716D+01
      3   0.365086D+00  0.264040D+01  0.165489D+01  0.151485D+00  0.450677D+01
               176           177           178           179           180 
      1   0.114274D+00 -0.259105D+01 -0.179152D+01 -0.933218D+00 -0.653690D+00
      2   0.202645D+01 -0.823894D+00 -0.145145D+01  0.469188D+00  0.946780D+00
      3  -0.909876D-01 -0.794344D+00  0.589755D+00  0.104495D+01  0.234111D+00
               181           182           183           184           185 
      1  -0.610911D+00  0.416629D+01 -0.440990D+01 -0.263979D+01  0.101883D+00
      2   0.387967D+00  0.212481D+01  0.628568D+01 -0.601775D+01  0.214976D+01
      3   0.149247D+02  0.529035D+01 -0.211986D+01 -0.147470D+02  0.820873D+01
               186           187           188           189           190 
      1  -0.111137D+01 -0.122812D+02  0.641962D+01  0.209484D+01  0.235859D+01
      2   0.248392D+01 -0.260947D+01  0.107255D+02 -0.323555D+01 -0.121581D+02
      3   0.320415D+00  0.151550D+01 -0.340900D+01  0.551280D+00  0.655073D+01
               191           192           193           194           195 
      1   0.721294D+01  0.329314D+00  0.600658D+01  0.615217D+01  0.149357D+01
      2  -0.538978D+00 -0.332624D+00  0.303604D+01 -0.208028D+01 -0.358983D+00
      3   0.210684D+02 -0.316271D+01  0.404624D+02  0.526589D+01 -0.496984D+01
               196           197           198           199           200 
      1  -0.565911D+00  0.123494D+02 -0.177772D+01  0.212486D+00 -0.674895D+01
      2   0.264142D+01 -0.355736D+01 -0.216199D+01  0.145955D+02 -0.137658D+01
      3  -0.567029D+01 -0.483763D+01 -0.116634D+01  0.174062D+02 -0.381718D+02
               201           202           203           204           205 
      1   0.170069D+00 -0.609931D+00 -0.336920D+01 -0.216061D+01  0.675644D+01
      2   0.190568D+01  0.328440D+01 -0.172418D+01 -0.302578D+01 -0.201031D+02
      3   0.298923D+01 -0.550518D-01 -0.106174D+02  0.271824D+01  0.116663D+00
               206           207           208           209           210 
      1   0.248241D+01 -0.107578D+01 -0.203145D+01 -0.638596D+01 -0.789901D+00
      2  -0.169008D+02  0.477283D+01  0.329966D+01 -0.158865D+01  0.134704D+02
      3   0.844993D+01  0.832842D+01 -0.400765D+01 -0.399816D+02  0.360551D+01
               211           212           213           214           215 
      1   0.115920D-01  0.418656D+00 -0.443754D+01 -0.167324D+01 -0.975035D+00
      2  -0.759067D+00  0.546668D+00  0.389555D+01 -0.530275D+01 -0.170285D+01
      3  -0.191525D+01  0.123828D+02 -0.906163D+00  0.197605D+01  0.429748D+01
               216           217           218           219           220 
      1   0.107594D+01 -0.117288D+01  0.245795D+01  0.102854D+01  0.385800D+01
      2  -0.969384D+00 -0.601611D+01 -0.372661D+01 -0.689697D+00 -0.450339D+01
      3   0.275413D+01 -0.316490D+02  0.111616D+02  0.592763D+01  0.264107D+02
               221           222           223           224           225 
      1   0.332530D+01  0.377334D+01  0.100751D+02  0.619614D+01 -0.123750D+00
      2  -0.362534D+01 -0.346393D+02 -0.159233D+02 -0.269537D+02  0.122089D+02
      3   0.214184D+02  0.134440D+01  0.526732D+01  0.162277D+01  0.273298D+02
               226           227           228           229           230 
      1  -0.308321D+00  0.459765D+00  0.119066D+01 -0.169429D+00  0.363966D+00
      2  -0.501121D+00  0.102874D+00  0.216596D+00  0.548302D+00 -0.188592D+01
      3  -0.688090D+01  0.532742D+01  0.182985D+00  0.556898D+01 -0.193342D+02
               231           232           233           234           235 
      1  -0.443339D+01 -0.576934D+00  0.260583D+01  0.300190D+00  0.170999D+01
      2   0.712674D+00  0.187999D+00 -0.262828D+00 -0.953666D-02 -0.190508D+01
      3   0.167110D+01  0.313319D+00  0.129201D+01  0.545335D+00  0.575377D+01
               236           237           238           239           240 
      1   0.144127D+00 -0.191966D+01  0.564936D+00 -0.974840D-01 -0.263589D+01
      2  -0.131366D+01  0.212234D+01 -0.196884D+01 -0.223259D+01  0.362770D+01
      3  -0.493241D+01 -0.290535D+00 -0.588851D+01 -0.112877D+02  0.162462D+01
               241           242           243           244           245 
      1   0.222166D+01  0.951892D+00  0.235508D-01 -0.180691D+00  0.595237D+00
      2  -0.261510D+01  0.374667D+00 -0.277296D+00 -0.788083D-04  0.638495D+00
      3  -0.273611D+00  0.152910D+01 -0.128029D+01  0.387416D+01 -0.335167D+01
               246           247           248           249           250 
      1   0.117349D+01  0.389661D+00 -0.459016D+00 -0.385678D+01 -0.128099D+00
      2   0.122071D+01  0.226144D+00  0.597557D+00 -0.329988D+01 -0.169663D+01
      3  -0.338534D+00 -0.222001D+01  0.195323D+02 -0.124058D+01  0.841486D-02
               251           252           253           254           255 
      1   0.180199D+01  0.863135D-01 -0.795174D+00  0.307621D+00  0.939275D+00
      2   0.279555D+00  0.246161D+00 -0.598992D+01  0.684313D+00 -0.248673D+01
      3  -0.203009D+01 -0.167631D+00 -0.135060D+01  0.115158D+01 -0.944517D+00
               256           257           258           259           260 
      1  -0.101685D+00 -0.118777D+01 -0.183703D+01 -0.159455D+01  0.204177D+01
      2  -0.435999D+01 -0.101407D+02  0.165827D+02  0.117206D+02  0.160332D+02
      3  -0.732597D+01 -0.162994D+02  0.115087D+02  0.558896D+01  0.135354D+02
               261           262           263           264           265 
      1   0.327083D+01 -0.303462D+00 -0.326226D+00 -0.132110D+00 -0.228967D+01
      2  -0.348286D+02  0.867456D+01  0.286635D+01  0.133979D+01  0.718288D+01
      3  -0.173715D+02 -0.433847D+01 -0.275960D+01 -0.216892D+01 -0.130149D+02
               266           267           268           269           270 
      1  -0.258957D+01 -0.399127D+01 -0.327313D+01 -0.991575D+00 -0.475731D+01
      2   0.114111D+02  0.153277D+02  0.110659D+02  0.150562D+02  0.206143D+02
      3  -0.241504D+02 -0.115070D+02 -0.866672D+01 -0.161691D+02 -0.148771D+02
               271           272           273           274           275 
      1   0.164822D+01 -0.105758D+01  0.166851D-01 -0.125917D+01  0.832801D+00
      2   0.757675D-01  0.482952D+00  0.863416D+01  0.943232D+00  0.344345D+00
      3   0.217092D+02 -0.125326D+02 -0.211049D+01 -0.143145D+02  0.120752D+02
               276           277           278           279 
      1  -0.851370D+00 -0.116043D+01  0.318777D+00  0.151801D+00
      2  -0.310079D+01  0.754874D+01  0.347551D+00 -0.219625D+01
      3   0.745610D+00 -0.183119D+01  0.127462D+00 -0.558824D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.899153D+02 -0.461121D+02  0.115766D+02  0.886627D+02 -0.498025D+01
      2   0.508858D+02  0.272990D+02 -0.792580D+01 -0.438198D+02  0.799926D+01
      3   0.390295D+02  0.188131D+02 -0.365077D+01 -0.448429D+02 -0.301901D+01
      4  -0.430437D+02  0.200072D+01  0.270752D+01 -0.453680D+01  0.709746D+01
      5   0.137134D+02  0.212488D+01 -0.188012D+01  0.216298D+01  0.202998D+01
      6   0.839977D+00 -0.452664D+01  0.103263D+01  0.354417D+01  0.182846D+01
                 6             7             8             9            10 
      1  -0.945992D+01  0.230516D+01  0.475278D+01 -0.112831D+02  0.755882D+02
      2   0.341615D+01 -0.325238D+01 -0.404666D+01 -0.104569D+01 -0.297686D+02
      3   0.604377D+01  0.947225D+00 -0.706123D+00  0.123288D+02 -0.458197D+02
      4   0.324064D-01  0.523873D+01 -0.229514D+00 -0.423268D+00  0.700570D+01
      5  -0.620439D+00 -0.160792D+01  0.138831D+01  0.311690D+01 -0.105578D+02
      6  -0.600777D+00 -0.287445D+01  0.238570D+01  0.226970D+01  0.299935D+00
                11            12            13            14            15 
      1  -0.798277D+01 -0.766489D+01 -0.103326D+03 -0.278910D+02  0.118661D+02
      2   0.659582D+01  0.131459D+01  0.480713D+02  0.223782D+02 -0.760121D+01
      3   0.138696D+01  0.635030D+01  0.552546D+02  0.551278D+01 -0.426493D+01
      4   0.212848D+01 -0.184080D+01 -0.195711D+02 -0.137083D+02  0.242675D+01
      5  -0.600399D+00 -0.538977D+01  0.285300D+00 -0.341016D+00 -0.270740D+00
      6  -0.594734D+00 -0.514978D+00 -0.102459D+01 -0.506791D+01  0.527293D-01
                16            17            18            19            20 
      1   0.440495D+00  0.266374D+01 -0.846614D+01  0.561877D+02  0.509494D+02
      2  -0.257588D+01 -0.218483D+01 -0.148252D+01 -0.325610D+02 -0.354255D+02
      3   0.213539D+01 -0.478911D+00  0.994866D+01 -0.236268D+02 -0.155239D+02
      4   0.109537D+01  0.154273D+01 -0.191356D+01  0.408552D+02 -0.525131D+01
      5   0.119026D+01 -0.165409D+01  0.314725D+01 -0.112991D+02 -0.402742D+01
      6  -0.151991D+01  0.380753D+01  0.437362D+00 -0.664626D+00  0.103892D+02
                21            22            23            24            25 
      1  -0.148884D+02 -0.121459D+02  0.217165D+02 -0.726221D+01 -0.672134D+01
      2   0.857594D+01  0.173766D+02 -0.262530D+02  0.414578D+01 -0.394115D+00
      3   0.631247D+01 -0.523073D+01  0.453645D+01  0.311643D+01  0.711546D+01
      4  -0.353462D+01  0.168289D+02  0.468019D+00 -0.143160D+01 -0.114369D+02
      5  -0.191911D+01 -0.496433D+01 -0.160605D+01 -0.526739D+01  0.720992D+01
      6  -0.119319D+01 -0.331922D+01  0.863350D+01  0.428829D+01  0.474686D+00
                26            27            28            29            30 
      1  -0.171842D+02 -0.661973D+01  0.166937D+02 -0.100416D+01  0.873158D+01
      2   0.100819D+02 -0.429407D+01 -0.231125D+02  0.384851D+01 -0.417056D+01
      3   0.710228D+01  0.109138D+02  0.641886D+01 -0.284434D+01 -0.456102D+01
      4  -0.127452D+01 -0.354607D+01 -0.979853D+01  0.938244D+01 -0.141977D+01
      5  -0.865407D+01  0.440089D+01  0.104770D+02 -0.167394D+01  0.747157D+01
      6   0.958378D+01  0.364369D+01  0.269516D+01 -0.458579D+01  0.133779D+01
                31            32            33            34            35 
      1  -0.324932D+02 -0.656145D+02  0.953643D+01  0.157006D+02  0.106650D+02
      2   0.266004D+02  0.563185D+02 -0.104870D+02 -0.209803D+01 -0.798276D+01
      3   0.589280D+01  0.929602D+01  0.950605D+00 -0.136026D+02 -0.268223D+01
      4  -0.391595D+02  0.462985D+01 -0.109188D+01  0.884786D+01 -0.277462D+01
      5   0.959500D+01  0.178114D+01  0.371036D-01  0.266253D+02  0.492269D+01
      6   0.169685D+01 -0.167913D+02 -0.400167D+00 -0.373815D+00  0.557792D+01
                36            37            38            39            40 
      1  -0.622145D+01 -0.120620D+02 -0.643603D+02  0.100564D+02  0.284111D+02
      2  -0.782433D+01  0.608126D+01  0.507029D+02 -0.459113D+01 -0.283177D+02
      3   0.140458D+02  0.598078D+01  0.136574D+02 -0.546530D+01 -0.934564D-01
      4  -0.119635D+01 -0.914004D+01 -0.840022D+01  0.467497D+01  0.139821D+02
      5  -0.161523D+01 -0.205240D+01  0.883870D+01  0.345032D+01  0.143118D+01
      6   0.786503D+00  0.554591D+01 -0.990990D+01  0.811326D+01  0.382791D+01
                41            42            43            44            45 
      1   0.409524D+02 -0.567659D+01  0.598640D+01  0.723193D+01 -0.154747D+02
      2  -0.371518D+02  0.657922D+01  0.723241D+01 -0.279195D+00 -0.195245D+00
      3  -0.380060D+01 -0.902631D+00 -0.132188D+02 -0.695274D+01  0.156699D+02
      4  -0.150610D+02  0.318923D+01  0.907685D+01  0.484196D+01  0.913624D+01
      5   0.395290D+00  0.463221D+01  0.161839D+02  0.501296D+01 -0.625651D+01
      6   0.128942D+02 -0.734077D+00  0.193643D+02  0.101437D+02 -0.790920D+01
                46            47            48            49            50 
      1   0.216157D+02  0.485216D+02 -0.123965D+02 -0.104495D+02  0.230050D+01
      2  -0.156875D+02 -0.360125D+02  0.575585D+01  0.900234D+01 -0.113361D+02
      3  -0.592817D+01 -0.125090D+02  0.664060D+01  0.144716D+01  0.903562D+01
      4   0.818356D+00 -0.732436D+01  0.411754D+00  0.589145D+01  0.115286D+02
      5   0.103641D+02 -0.183476D+01 -0.829595D+00  0.174213D+01 -0.121205D+01
      6  -0.119847D+01  0.131392D+02 -0.807678D+01 -0.278017D+01  0.441623D+01
                51            52            53            54            55 
      1  -0.135905D+01 -0.425601D+01 -0.670771D+01 -0.222224D+02  0.128816D+02
      2   0.427337D+01  0.561651D+00  0.146935D+02  0.114189D+02 -0.152465D+02
      3  -0.291432D+01  0.369436D+01 -0.798576D+01  0.108035D+02  0.236492D+01
      4  -0.206796D+01 -0.135894D+01  0.227173D+01 -0.466128D+01  0.324831D+02
      5  -0.924866D-01  0.327559D+01 -0.505877D+00  0.455196D+01 -0.117284D+02
      6   0.663439D+01 -0.624309D+01  0.225131D+02 -0.452835D+01 -0.201656D+01
                56            57            58            59            60 
      1   0.533099D+02 -0.982086D+01  0.288307D+01  0.226841D+02 -0.428531D+01
      2  -0.342972D+02  0.514377D+01  0.131853D+01 -0.224723D+02  0.382808D+01
      3  -0.190127D+02  0.467710D+01 -0.420160D+01 -0.211826D+00  0.457236D+00
      4  -0.361748D+02  0.188463D+00  0.292385D+02  0.163676D+02 -0.181513D+01
      5  -0.377104D+00 -0.735043D+01 -0.459951D+01 -0.520163D+00  0.486042D+01
      6   0.484228D+01 -0.620598D+01 -0.180610D+01  0.509171D+01  0.570757D+01
                61            62            63            64            65 
      1  -0.367389D+01 -0.972885D+01 -0.200982D+02  0.712950D-01  0.467429D+00
      2   0.266962D+01  0.105359D+02  0.852441D+01  0.217274D+01 -0.164705D+01
      3   0.100428D+01 -0.807028D+00  0.115738D+02 -0.224403D+01  0.117962D+01
      4  -0.514810D+01  0.810677D+01  0.115566D+02 -0.501931D+01  0.804278D+01
      5   0.193294D+01  0.139338D+02  0.943211D+00 -0.138146D+01  0.105738D+01
      6  -0.972345D+00  0.215353D+02 -0.223718D+00  0.112367D+01 -0.116265D+01
                66            67            68            69            70 
      1  -0.333037D+00  0.386479D+01 -0.210036D+02  0.435924D-01 -0.207522D+01
      2   0.176508D+00 -0.733814D+01  0.270441D+02 -0.122761D+00  0.171963D+01
      3   0.156530D+00  0.347335D+01 -0.604053D+01  0.791687D-01  0.355588D+00
      4   0.114787D+00  0.118606D+02 -0.172959D+02 -0.126186D+00 -0.281089D+00
      5   0.622479D+00  0.137493D+01 -0.234721D+00 -0.199362D+01  0.234729D+00
      6  -0.443140D+00 -0.208356D+01  0.393244D+01  0.471031D+01 -0.168963D+01
                71            72            73            74            75 
      1   0.234104D+01 -0.235162D+01  0.488454D+01 -0.348689D+01  0.136591D+01
      2  -0.220078D+01  0.276276D+01  0.464183D+01  0.106464D+02 -0.110972D+01
      3  -0.140261D+00 -0.411146D+00 -0.952637D+01 -0.715951D+01 -0.256193D+00
      4   0.106926D+01 -0.463202D+00  0.275025D+02  0.228695D+02 -0.524583D+01
      5   0.546824D+00 -0.661030D-01 -0.872459D+01 -0.541883D+01  0.537912D+01
      6   0.135708D+01 -0.558333D+00 -0.744506D+01 -0.682304D+01  0.475978D+01
                76            77            78            79            80 
      1  -0.713500D+01 -0.146176D+02  0.405422D+01 -0.729077D+00  0.215471D+01
      2   0.158404D+02  0.248490D+02 -0.366694D+01 -0.245721D+01 -0.287905D+01
      3  -0.870545D+01 -0.102314D+02 -0.387283D+00  0.318628D+01  0.724334D+00
      4   0.265441D+02  0.300108D+02 -0.581796D+01 -0.622818D+01 -0.523697D+01
      5  -0.604501D+01 -0.616465D+01  0.473779D+01  0.143009D+01  0.321761D+01
      6  -0.864718D+01 -0.106063D+02  0.732666D+01  0.205591D+00  0.415340D+01
                81            82            83            84            85 
      1  -0.545558D+00 -0.514764D+01  0.903126D+01 -0.311654D+00  0.588735D+01
      2   0.130294D+01  0.780551D+01 -0.129711D+02  0.361339D+00 -0.752423D+01
      3  -0.757386D+00 -0.265786D+01  0.393985D+01 -0.496851D-01  0.163688D+01
      4   0.331416D+01 -0.504096D+01  0.127916D+02 -0.117936D+01  0.771009D+01
      5  -0.166798D+01  0.155977D+01 -0.249244D+01  0.200832D+01 -0.153456D+01
      6  -0.210056D+01 -0.168754D+01  0.186535D+01 -0.203168D+01  0.203309D+01
                86            87            88            89            90 
      1  -0.525619D+02  0.593502D+01 -0.112158D+00  0.458618D+01 -0.208141D+01
      2   0.703831D+02 -0.558242D+01  0.706392D+00 -0.564270D+01  0.241659D+01
      3  -0.178211D+02 -0.352599D+00 -0.594234D+00  0.105652D+01 -0.335189D+00
      4  -0.146912D+02  0.160820D+01 -0.844080D+00 -0.187778D+00 -0.139570D+01
      5   0.461104D+01 -0.168170D+01  0.100475D+01 -0.160424D+01  0.996596D-01
      6  -0.137265D+02  0.924017D+01  0.856723D+00  0.433629D+01 -0.158009D+01
                91            92            93            94            95 
      1  -0.338344D+02 -0.177077D+02 -0.104533D+02 -0.111274D+02  0.431009D+00
      2   0.280264D+02  0.147318D+02  0.522052D+01  0.111390D+02  0.859684D-01
      3   0.580799D+01  0.297589D+01  0.523279D+01 -0.115855D-01 -0.516977D+00
      4  -0.128225D+02 -0.102464D+02  0.220126D+01 -0.194518D+02  0.114801D+02
      5  -0.141816D+02  0.199483D+01 -0.220481D+02  0.667758D+01  0.257867D+02
      6   0.181972D+01  0.442837D+01 -0.851631D-01  0.656934D+01 -0.346571D+01
                96            97            98            99           100 
      1   0.857677D+01 -0.279200D+02 -0.677628D+00 -0.184257D+02 -0.574133D+02
      2  -0.977222D+01  0.198995D+02 -0.405641D+01  0.123434D+02  0.312073D+02
      3   0.119545D+01  0.802053D+01  0.473404D+01  0.608229D+01  0.262060D+02
      4   0.256739D+02  0.121307D+01  0.208707D+02 -0.890467D+01  0.278639D+02
      5  -0.348566D+01 -0.402323D+02 -0.110566D+02  0.149909D+01  0.279265D+02
      6  -0.917217D+01 -0.466408D+01 -0.293529D+01  0.621774D+01 -0.640690D+01
               101           102           103           104           105 
      1   0.254404D+02  0.259513D+02  0.672035D+01  0.506490D+01 -0.541744D+01
      2  -0.180965D+02 -0.544597D+01 -0.826935D+01 -0.470964D+01  0.185207D+02
      3  -0.734389D+01 -0.205053D+02  0.154900D+01 -0.355268D+00 -0.131032D+02
      4   0.961993D+01 -0.887678D+00  0.162621D+02 -0.149344D+02 -0.252005D+02
      5  -0.419847D+00  0.196412D+02  0.197396D+01 -0.265453D+02  0.487939D+01
      6  -0.382004D+01 -0.119899D+02 -0.698588D+01  0.134536D+02 -0.431390D+00
               106           107           108           109           110 
      1   0.185004D+02  0.746987D+00  0.358112D+02 -0.993012D+02 -0.141003D+02
      2  -0.714194D+01  0.144557D+02 -0.144283D+02  0.402980D+02  0.120423D+01
      3  -0.113584D+02 -0.152027D+02 -0.213829D+02  0.590033D+02  0.128961D+02
      4   0.220181D+01 -0.171371D+02  0.849578D+01 -0.254346D+02 -0.231609D+02
      5   0.139255D+02  0.142004D+02  0.123817D+02 -0.179152D+02 -0.729030D+01
      6  -0.756905D+01 -0.631101D+01 -0.143383D+02 -0.239087D+01 -0.208670D+01
               111           112           113           114           115 
      1  -0.109631D+02 -0.118951D+02 -0.930098D+01 -0.502552D+01  0.357039D+02
      2   0.312412D+01  0.163352D+01  0.732253D+01  0.144993D+01 -0.284741D+02
      3   0.783899D+01  0.102616D+02  0.197845D+01  0.357559D+01 -0.722981D+01
      4  -0.562725D+01  0.810780D+01 -0.925332D+01 -0.217820D+01 -0.355078D+01
      5  -0.116110D+02 -0.534777D+01 -0.327605D+01 -0.109284D+01  0.333752D+02
      6  -0.206240D+01 -0.430817D+01 -0.270541D+00  0.290936D+01  0.698031D+01
               116           117           118           119           120 
      1   0.354132D+00  0.264663D+02  0.166388D+02  0.908208D+01 -0.605773D+01
      2  -0.215708D+01 -0.821709D+01 -0.123892D+02 -0.655447D+01  0.557606D+01
      3   0.180295D+01 -0.182493D+02 -0.424960D+01 -0.252761D+01  0.481667D+00
      4  -0.225437D+01  0.287353D+01  0.150917D+02  0.119266D+02 -0.538411D+01
      5   0.409479D+01  0.260246D+01 -0.158648D+02 -0.642331D+01  0.168671D+02
      6  -0.255514D+01 -0.651836D+00 -0.544200D+01 -0.322157D+01  0.310666D+01
               121           122           123           124           125 
      1   0.188435D+02  0.223175D+01 -0.115830D+01 -0.838704D+01 -0.466480D+00
      2  -0.121996D+02 -0.140536D+01  0.348611D+01  0.871738D+01  0.423702D+01
      3  -0.664386D+01 -0.826386D+00 -0.232781D+01 -0.330336D+00 -0.377054D+01
      4   0.144639D+02  0.188463D+02 -0.151650D+02 -0.675648D+01 -0.153514D+02
      5  -0.118690D+02 -0.158186D+02  0.142862D+02  0.231433D+02  0.127519D+02
      6  -0.479600D+01 -0.857123D+01  0.873357D+01  0.460450D+01  0.761022D+01
               126           127           128           129           130 
      1   0.188153D+01 -0.626088D+01 -0.958406D+01 -0.200879D+02 -0.161364D+01
      2  -0.102379D+02  0.278633D+00  0.611762D+01  0.388048D+01  0.946376D+00
      3   0.835641D+01  0.598225D+01  0.346644D+01  0.162074D+02  0.667264D+00
      4   0.124841D+02  0.622742D+00 -0.525881D+01 -0.112056D+01 -0.995304D-01
      5  -0.269123D+02 -0.407416D+01 -0.376854D+01 -0.937295D+01  0.598247D+00
      6  -0.792995D+01  0.379126D+01  0.594400D+01  0.106223D+02  0.136399D+01
               131           132           133           134           135 
      1  -0.102061D+02 -0.830489D+01 -0.124911D+02 -0.121451D+02 -0.376142D+02
      2   0.587488D+01  0.344000D+01  0.427444D+01  0.371262D+01 -0.185915D+01
      3   0.433123D+01  0.486489D+01  0.821668D+01  0.843251D+01  0.394733D+02
      4  -0.418911D+01 -0.420945D+01  0.701032D+01 -0.107126D+02 -0.111384D+02
      5  -0.399406D+01 -0.667666D+01  0.467762D+01 -0.149788D+02 -0.394323D+02
      6   0.677555D+01  0.112913D+02  0.598026D+00  0.151337D+02  0.283162D+02
               136           137           138           139           140 
      1   0.167811D+01 -0.994551D+01  0.938357D+00 -0.754531D+01 -0.165298D+02
      2   0.176178D+01  0.926357D+01 -0.289400D+01  0.284225D+01  0.300618D+02
      3  -0.343989D+01  0.681940D+00  0.195564D+01  0.470306D+01 -0.135320D+02
      4  -0.483219D+01 -0.263668D+01 -0.256719D+00  0.773035D+01 -0.272125D+02
      5   0.857969D+00  0.165062D+01 -0.421263D+01  0.155776D+01  0.113495D+02
      6  -0.664994D+00  0.226437D+00  0.316996D+01 -0.886348D-01 -0.321482D+01
               141           142           143           144           145 
      1   0.546923D+01  0.458311D+01  0.707199D+01 -0.954357D+01  0.922269D+02
      2  -0.121385D+02 -0.155810D+01 -0.162011D+02  0.102174D+02 -0.465938D+02
      3   0.666929D+01 -0.302501D+01  0.912915D+01 -0.673807D+00 -0.456331D+02
      4   0.934545D+01 -0.736736D+01  0.198425D+02 -0.817370D+01 -0.499578D+02
      5  -0.111561D+02 -0.142395D+01 -0.100355D+02  0.128039D+02 -0.376180D+02
      6   0.734226D+01  0.980705D+00  0.565925D+01 -0.689556D+01  0.100809D+02
               146           147           148           149           150 
      1  -0.178903D+02 -0.135486D+02 -0.883806D+01  0.857736D+01  0.139814D+01
      2   0.501572D+01  0.948259D+01  0.815131D+00 -0.174769D+01 -0.134498D+01
      3   0.128746D+02  0.406601D+01  0.802293D+01 -0.682967D+01 -0.531635D-01
      4   0.244245D+02  0.101870D+02  0.165017D+02 -0.827007D+01 -0.840032D+00
      5   0.102029D+02  0.191244D+02  0.312857D+01 -0.222200D+01 -0.158550D+01
      6  -0.580693D+01 -0.592639D+01 -0.380501D+01  0.953662D+00  0.218224D+01
               151           152           153           154           155 
      1  -0.956865D+01  0.160368D+01  0.577758D+01  0.204953D+03  0.260079D+02
      2   0.757045D+01 -0.274350D+01 -0.527734D+01 -0.965078D+02 -0.897068D+01
      3   0.199820D+01  0.113981D+01 -0.500241D+00 -0.108445D+03 -0.170372D+02
      4   0.481686D+01 -0.499913D+00 -0.594881D+01  0.363917D+02  0.432017D+02
      5   0.161973D+02 -0.518392D+01 -0.964401D+01  0.398880D+02  0.818853D+01
      6  -0.433928D+01  0.300757D+01  0.362241D+01  0.852244D+00  0.464506D+01
               156           157           158           159           160 
      1   0.120760D+02  0.237224D+02  0.340775D+02  0.788564D+00  0.127494D+02
      2  -0.114905D+02 -0.677286D+01 -0.112369D+02 -0.834796D+00 -0.115691D+02
      3  -0.585507D+00 -0.169496D+02 -0.228407D+02  0.462323D-01 -0.118032D+01
      4   0.608353D+01  0.495268D+02  0.253241D+02  0.497773D+01  0.490162D+01
      5   0.414772D+02  0.505512D+01  0.872468D+01  0.601720D+01  0.393154D+02
      6   0.143474D+01  0.914346D+01  0.363332D+01  0.582807D+01  0.219195D+01
               161           162           163           164           165 
      1   0.128348D+01  0.225201D+02  0.569348D+02  0.589826D+01  0.193151D+02
      2  -0.114741D+01 -0.158374D+02 -0.390845D+02 -0.238376D+01 -0.118077D+02
      3  -0.136067D+00 -0.668277D+01 -0.178503D+02 -0.351450D+01 -0.750741D+01
      4   0.366210D+01  0.606175D+01  0.728160D+01  0.604418D+01 -0.106293D+01
      5   0.657902D+01  0.122154D+02  0.367912D+02 -0.489391D+00  0.199592D+02
      6   0.499618D+01  0.176901D+01  0.345809D+01  0.527039D+00  0.598354D+00
               166           167           168           169           170 
      1   0.104122D+02 -0.107265D+02 -0.173028D+00 -0.279698D+01 -0.208163D+01
      2  -0.613316D+01  0.345240D+01  0.447094D+00 -0.138825D+01  0.143039D+01
      3  -0.427908D+01  0.727413D+01 -0.274066D+00  0.418523D+01  0.651243D+00
      4   0.233754D+01 -0.220308D+01  0.894890D+01 -0.203862D+01  0.498683D+01
      5   0.384396D+01  0.811347D+01 -0.442114D+00  0.129290D+02 -0.191732D+00
      6   0.193438D+01  0.274593D+00  0.114717D+02 -0.164269D+01  0.102707D+02
               171           172           173           174           175 
      1  -0.334931D+02 -0.532352D+02 -0.216927D+01  0.152442D+01 -0.794778D+01
      2  -0.106445D+02  0.339411D+02  0.141059D+01  0.816260D+01  0.581130D+01
      3   0.441376D+02  0.192941D+02  0.758678D+00 -0.968702D+01  0.213648D+01
      4  -0.141785D+01 -0.393176D+01 -0.381749D+01  0.375972D+00  0.185342D+00
      5   0.379674D+02 -0.295372D+02  0.555313D+00 -0.183709D+02 -0.292723D+01
      6  -0.976923D+00 -0.297100D+01 -0.300684D+01  0.761773D-01 -0.888213D+00
               176           177           178           179           180 
      1  -0.370485D+01  0.706533D+00 -0.169445D+02 -0.101167D+01 -0.998062D+01
      2   0.218241D+01  0.103020D+01  0.164321D+02  0.108650D+01  0.675391D+01
      3   0.152244D+01 -0.173673D+01  0.512350D+00 -0.748306D-01  0.322671D+01
      4  -0.219850D+00  0.243645D+01 -0.177214D+01 -0.736707D+00 -0.179280D+00
      5   0.226562D+01 -0.251833D+01 -0.178724D+02 -0.180438D+00 -0.722706D+01
      6  -0.102817D+01  0.255139D+01 -0.956119D+00  0.443356D+00 -0.100493D+01
               181           182           183           184           185 
      1  -0.321793D+01 -0.539842D+02  0.760768D+01  0.896013D+02  0.308502D+02
      2   0.580601D+01  0.382552D+02 -0.409746D+01 -0.619342D+02 -0.247846D+02
      3  -0.258808D+01  0.157290D+02 -0.351023D+01 -0.276670D+02 -0.606559D+01
      4  -0.231580D+02  0.424635D+02  0.308169D+01  0.260948D+02 -0.339257D+02
      5   0.118160D+02  0.388899D+01  0.116760D+02 -0.590646D+01  0.602580D+01
      6   0.474051D+01  0.477952D+00  0.730395D+01  0.419097D+01  0.459811D+01
               186           187           188           189           190 
      1  -0.101787D+02 -0.369946D+01  0.676866D+01  0.255552D+01  0.136095D+03
      2   0.790132D+01  0.709452D+01 -0.200111D+01 -0.919049D+01 -0.733995D+02
      3   0.227735D+01 -0.339506D+01 -0.476755D+01  0.663496D+01 -0.626960D+02
      4   0.354141D+01  0.764028D+01  0.328942D+01  0.177400D+02  0.784043D+01
      5   0.722029D+01  0.293915D+02  0.171527D+02 -0.685052D+01 -0.269923D+01
      6   0.237254D+01  0.169853D+02  0.900067D+01 -0.304385D+01  0.255671D+01
               191           192           193           194           195 
      1   0.252992D+02 -0.130097D+02 -0.304639D+02 -0.285206D+02  0.920647D+01
      2  -0.151080D+02  0.426458D+01  0.293257D+02  0.288330D+02 -0.908168D+01
      3  -0.101912D+02  0.874510D+01  0.113823D+01 -0.312347D+00 -0.124794D+00
      4   0.285092D+02 -0.404869D+01 -0.260329D+02  0.609787D+02 -0.302968D+01
      5  -0.532639D+01  0.591927D+00  0.990312D+01 -0.652751D+01 -0.704771D+00
      6   0.249475D+01 -0.250207D+01  0.118795D+01 -0.341658D+01 -0.215441D+01
               196           197           198           199           200 
      1  -0.657934D+00  0.349928D+01  0.258940D+02 -0.109135D+03 -0.510557D+01
      2  -0.519776D+00 -0.337405D+01 -0.228708D+02  0.468916D+02  0.383217D+00
      3   0.117771D+01 -0.125229D+00 -0.302319D+01  0.622436D+02  0.472235D+01
      4   0.669013D+01 -0.884999D+01  0.456840D+00 -0.909575D+01 -0.332143D+02
      5   0.497160D+02  0.625887D+01 -0.615787D+01  0.117549D+02  0.159257D+01
      6  -0.229946D+01  0.274583D+01  0.293806D+01 -0.280430D+01  0.259283D+01
               201           202           203           204           205 
      1   0.848099D+01 -0.794566D+02 -0.563208D+01  0.539599D+01  0.197993D+02
      2  -0.345839D+01  0.496680D+02 -0.893138D+01 -0.185482D+01 -0.111975D+02
      3  -0.502260D+01  0.297886D+02  0.145635D+02 -0.354117D+01 -0.860182D+01
      4   0.138703D+01 -0.189737D+01 -0.197984D+02 -0.902224D+00 -0.188152D+01
      5   0.381491D+01  0.578195D+01  0.606605D+00 -0.733429D+01  0.241025D+01
      6   0.979276D-01 -0.374461D+01  0.378929D+01  0.466286D+01 -0.333819D+01
               206           207           208           209           210 
      1  -0.500627D+01 -0.197016D+02 -0.520008D+01 -0.285325D+02  0.819998D+01
      2   0.711290D+01  0.432473D+01  0.121041D+01  0.160769D+02 -0.900911D+00
      3  -0.210663D+01  0.153769D+02  0.398966D+01  0.124556D+02 -0.729907D+01
      4   0.230306D+01 -0.248988D+02 -0.246304D+02  0.840974D+01  0.440296D+01
      5  -0.267255D+02  0.975507D+01  0.304252D+01  0.433533D+01  0.258007D+02
      6   0.168109D+02 -0.762249D+00  0.940960D+00 -0.248097D+01  0.307620D+01
               211           212           213           214           215 
      1  -0.174585D+01  0.120472D+02  0.661071D+00  0.216362D+01  0.914484D+00
      2  -0.347852D+01 -0.362701D+01  0.172481D+01 -0.101644D+00 -0.338350D+00
      3   0.522438D+01 -0.842021D+01 -0.238589D+01 -0.206197D+01 -0.576134D+00
      4   0.360645D+02 -0.187946D+02 -0.879021D+00 -0.118290D+01  0.357548D-02
      5  -0.339413D+00  0.132985D+01  0.614773D+01  0.920164D+01 -0.672287D+01
      6  -0.959265D+00  0.214351D+01  0.710619D+01 -0.336228D+01  0.431201D+01
               216           217           218           219           220 
      1  -0.704203D+00 -0.479924D+02  0.491279D+02 -0.145202D+01  0.550245D+02
      2  -0.411405D+00  0.272852D+02 -0.265011D+02 -0.659070D+00 -0.275120D+02
      3   0.111561D+01  0.207072D+02 -0.226268D+02  0.211109D+01 -0.275125D+02
      4  -0.749989D+01  0.480651D+02 -0.186585D+01 -0.124647D+02 -0.331193D+02
      5  -0.327760D+01 -0.106124D+01 -0.132765D+02 -0.693115D+01 -0.149149D+02
      6  -0.780482D+00 -0.569578D+01 -0.810244D+00 -0.106687D+01 -0.781488D+00
               221           222           223           224           225 
      1  -0.111458D+02 -0.193172D+02 -0.483272D+01 -0.151897D+02  0.291555D+01
      2   0.492147D+01  0.180179D+01 -0.201142D+01  0.196106D+01  0.750145D+00
      3   0.622434D+01  0.175154D+02  0.684414D+01  0.132287D+02 -0.366570D+01
      4  -0.219221D+02 -0.872812D+01 -0.121236D+02 -0.953326D+01 -0.452713D+02
      5  -0.973155D+01 -0.658465D+02 -0.223958D+02 -0.470158D+02  0.198981D+02
      6  -0.116318D+01 -0.138726D+02 -0.965492D+01 -0.110057D+02  0.715050D+01
               226           227           228           229           230 
      1  -0.547652D+01  0.138337D+02 -0.463794D+00  0.530528D+01 -0.481035D+02
      2   0.637852D+01 -0.136288D+02  0.510275D+00 -0.464491D+01  0.601308D+02
      3  -0.902000D+00 -0.204941D+00 -0.464817D-01 -0.660371D+00 -0.120273D+02
      4   0.140040D+01  0.437405D+01 -0.808798D+00  0.317351D+01  0.190794D+02
      5   0.219482D+00 -0.110505D+01  0.101085D+01 -0.199575D+00  0.104244D+01
      6  -0.196611D+00 -0.247192D+00 -0.152908D+01  0.394363D+00 -0.292913D+01
               231           232           233           234           235 
      1   0.382099D+01  0.211918D+00  0.321321D+01 -0.163639D+01  0.436699D+02
      2  -0.379495D+01 -0.577181D-01 -0.426278D+01  0.215215D+01 -0.171121D+02
      3  -0.260457D-01 -0.154199D+00  0.104957D+01 -0.515755D+00 -0.265578D+02
      4  -0.129741D+01 -0.559152D+00 -0.260167D+01 -0.129436D+01  0.323469D+02
      5   0.188457D+01  0.150216D+01 -0.893206D+00 -0.837961D-01 -0.828211D+01
      6   0.711079D+01  0.651702D-01  0.256111D+01 -0.864836D+00 -0.310661D+01
               236           237           238           239           240 
      1   0.124891D+02 -0.575011D+01  0.155264D+02  0.805872D+01 -0.173498D+01
      2  -0.341255D-01  0.240125D+01  0.328846D+01  0.103084D+02 -0.623934D+00
      3  -0.124550D+02  0.334886D+01 -0.188149D+02 -0.183671D+02  0.235891D+01
      4   0.253561D+02 -0.537189D+01  0.383982D+02  0.398805D+02 -0.705646D+01
      5  -0.379827D+01  0.471979D+01 -0.580298D+01 -0.477047D+01  0.619367D+01
      6  -0.244378D+01  0.246858D+01 -0.404062D+01 -0.444857D+01  0.495988D+01
               241           242           243           244           245 
      1  -0.739540D+01 -0.223836D+01 -0.652874D+00  0.733012D+00 -0.613592D+01
      2   0.185681D+01 -0.721698D+00  0.101267D+01  0.472401D+01 -0.239033D+01
      3   0.553859D+01  0.296006D+01 -0.359798D+00 -0.545702D+01  0.852625D+01
      4  -0.801381D+01 -0.674504D+01  0.281524D+01 -0.191395D+02  0.206544D+02
      5  -0.596123D+00  0.182677D+01 -0.128381D+01  0.247987D+01 -0.133551D+01
      6  -0.408027D+00  0.197394D+01 -0.105681D+01 -0.854518D+00  0.900101D-01
               246           247           248           249           250 
      1   0.981422D+00 -0.328733D+01 -0.153269D+02  0.105161D+01  0.642221D+00
      2  -0.464767D+00 -0.838454D+01  0.327195D+02 -0.856148D+00 -0.307784D-01
      3  -0.516654D+00  0.116719D+02 -0.173926D+02 -0.195463D+00 -0.611443D+00
      4  -0.299844D+00  0.280418D+02 -0.530723D+02  0.292782D+01 -0.997544D+00
      5   0.275217D+01 -0.293857D+01  0.608301D+01 -0.635254D+01  0.208067D+01
      6  -0.170706D+01  0.155398D+01 -0.324558D+01  0.647758D+01 -0.245448D+01
               251           252           253           254           255 
      1   0.228410D+01 -0.121064D+01 -0.336973D+01  0.124721D+01 -0.122389D+02
      2  -0.258461D+01  0.236517D+01  0.478281D+00 -0.644677D+00  0.467505D+01
      3   0.300512D+00 -0.115453D+01  0.289145D+01 -0.602535D+00  0.756388D+01
      4   0.353299D+01 -0.157952D+01 -0.628721D+00 -0.965371D+00 -0.152545D+01
      5  -0.727718D+00  0.335515D+00 -0.957490D+01 -0.948553D+00 -0.785716D+00
      6   0.258526D+01 -0.798521D+00 -0.166246D+01  0.511148D+00 -0.117182D+01
               256           257           258           259           260 
      1   0.115120D+02  0.279318D+01 -0.514190D+00 -0.341108D+02 -0.115368D+01
      2  -0.686972D+01 -0.754851D+00  0.273226D+01  0.230483D+02  0.328295D+01
      3  -0.464227D+01 -0.203833D+01 -0.221807D+01  0.110625D+02 -0.212928D+01
      4   0.203155D+02  0.246816D+02 -0.200493D+02 -0.158679D+02 -0.209251D+02
      5  -0.142026D+02 -0.195459D+02  0.328443D+02  0.370919D+02  0.295159D+02
      6  -0.497807D+01 -0.822141D+01  0.114554D+02  0.824612D+01  0.108935D+02
               261           262           263           264           265 
      1   0.206466D+01  0.177832D+02  0.785124D+01  0.131197D+02  0.273107D+02
      2  -0.149044D+02 -0.777338D+01 -0.291117D+01 -0.635738D+01 -0.104244D+02
      3   0.128397D+02 -0.100098D+02 -0.494006D+01 -0.676229D+01 -0.168863D+02
      4   0.285553D+02  0.966362D+01  0.704375D+01  0.723852D+01  0.348218D+02
      5  -0.660864D+02  0.156506D+02  0.685744D+01  0.353734D+01  0.184526D+02
      6  -0.147369D+02  0.317145D+01  0.852870D+00 -0.129937D+00  0.459981D+01
               266           267           268           269           270 
      1   0.144164D+02  0.898756D+01  0.448459D+02  0.122728D+02  0.922113D+01
      2  -0.140883D+00 -0.775754D+00 -0.217746D+02 -0.298004D+01 -0.638391D+01
      3  -0.142755D+02 -0.821180D+01 -0.230713D+02 -0.929276D+01 -0.283722D+01
      4   0.411402D+02  0.228036D+02  0.254722D+02  0.284362D+02  0.272286D+02
      5   0.240426D+02  0.300338D+02  0.296261D+02  0.288982D+02  0.409760D+02
      6   0.635710D+01  0.791783D+01  0.738561D+01  0.817126D+01  0.819671D+01
               271           272           273           274           275 
      1   0.176070D+03 -0.324725D+02 -0.112507D+02 -0.732084D+02  0.255256D+02
      2  -0.922100D+02  0.170343D+02  0.713071D+01  0.379263D+02 -0.120366D+02
      3  -0.838599D+02  0.154382D+02  0.411995D+01  0.352821D+02 -0.134890D+02
      4  -0.360723D+02  0.202815D+02  0.366055D+01  0.321451D+02 -0.234746D+02
      5  -0.155635D+02  0.395608D+01  0.177692D+02  0.802748D+01 -0.167763D+01
      6   0.329178D+01 -0.149944D+01 -0.561851D+00 -0.257775D+01  0.202871D+01
               276           277           278           279 
      1   0.594433D+01 -0.687726D+01  0.275851D+01  0.152380D+02
      2  -0.338930D+01  0.520209D+01 -0.123094D+01 -0.922212D+01
      3  -0.255502D+01  0.167516D+01 -0.152757D+01 -0.601591D+01
      4  -0.159994D+01  0.320395D+01  0.290795D+00 -0.812089D+00
      5  -0.665294D+01  0.228156D+02 -0.683541D+00 -0.570739D+01
      6   0.200468D+01 -0.109028D+01  0.244581D+01  0.304672D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x         -0.230106D+01     -0.584870D+01     -0.195092D+02
   y         -0.798511D+00     -0.202961D+01     -0.677006D+01
   z         -0.674119D+00     -0.171344D+01     -0.571542D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.281299D+03      0.416842D+02      0.463799D+02
   yx         0.106827D+02      0.158302D+01      0.176135D+01
   yy         0.160190D+03      0.237378D+02      0.264118D+02
   zx        -0.141450D+02     -0.209608D+01     -0.233220D+01
   zy        -0.467207D+01     -0.692329D+00     -0.770320D+00
   zz         0.110313D+03      0.163467D+02      0.181882D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.196846D+03      0.291696D+02      0.324555D+02
   aniso      0.169158D+03      0.250667D+02      0.278904D+02
   xx         0.302358D+03      0.448049D+02      0.498521D+02
   yx         0.134869D+02      0.199855D+01      0.222368D+01
   yy         0.171208D+03      0.253704D+02      0.282284D+02
   zx        -0.155743D+02     -0.230787D+01     -0.256785D+01
   zy        -0.536301D+01     -0.794715D+00     -0.884240D+00
   zz         0.116972D+03      0.173335D+02      0.192861D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12338185          0.49223693          1.51340259
     6         -0.57995573         -2.10973974          1.49072385
     6          1.38431657          1.53007588         -0.60768762
     6          1.95138584          0.09165340         -2.69432204
     6          1.23879477         -2.49722436         -2.69400009
     6          0.02398726         -3.56186321         -0.68108160
     6         -0.46443182          1.94118218          3.67091306
     1          1.91688099          3.50406373         -0.53294683
     1          1.67820694         -3.63806347         -4.33636436
     1         -0.49392286         -5.54132006         -0.71992624
     6          3.20144364          1.16064163         -5.03218395
     6          4.86113506          3.49582807         -4.57506785
     6          1.30251913          1.82436108         -7.12837068
     1          4.39081065         -0.30670149         -5.86001094
     1          6.28716123          3.08905332         -3.14511231
     1          3.75084012          5.11317076         -3.94213027
     1          5.80306841          4.02667291         -6.32539185
     8          1.87455865          1.91154635         -9.31794983
     8         -1.06105881          2.41992648         -6.37312913
     1         -1.21435168          2.13615832         -4.56731732
     6         -1.68567915          0.90070802          5.70821738
     6         -2.37983872         -1.67912340          5.67349191
     6         -1.82876361         -3.14666237          3.59433155
     8         -3.59170753         -2.84492255          7.61544577
     6         -4.20423909         -1.42127325          9.80196737
     1          0.06311902          3.91859474          3.71059454
     1         -2.10780076          2.06561684          7.32877963
     1         -2.37251671         -5.11802203          3.60095123
     1         -5.48286378          0.13961957          9.35512387
     1         -2.50865707         -0.67879856         10.72108153
     1         -5.14867220         -2.72722381         11.07573807

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252723D+01      0.642359D+01      0.214268D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252723D+01      0.642359D+01      0.214268D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183934D+03      0.272562D+02      0.303267D+02
   aniso      0.155575D+03      0.230538D+02      0.256509D+02
   xx         0.138594D+03      0.205376D+02      0.228511D+02
   yx         0.176987D+02      0.262268D+01      0.291813D+01
   yy         0.157677D+03      0.233654D+02      0.259975D+02
   zx        -0.612247D+02     -0.907256D+01     -0.100946D+02
   zy        -0.840107D+01     -0.124491D+01     -0.138515D+01
   zz         0.255531D+03      0.378657D+02      0.421313D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.196846D+03      0.291696D+02      0.324555D+02
   aniso      0.169158D+03      0.250667D+02      0.278904D+02
   xx         0.147371D+03      0.218382D+02      0.242982D+02
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 THE PROBLEM WITH THE LADDER OF SUCCESS IS YOU CAN'T
 CLIMB IT WHILE YOU'RE TWIDDLING YOUR THUMBS.
 Job cpu time:       0 days 16 hours  7 minutes 17.3 seconds.
 Elapsed time:       0 days  2 hours  1 minutes 11.3 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 13:12:56 2021.
